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    Chemistry

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    Also known as: 147118-37-4, 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carboxaldehyde, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-methanesulfonamide, 118442-83-4, Mfcd08458342
    Molecular Formula
    C16H18FN3O3S
    Molecular Weight
    351.4  g/mol
    InChI Key
    WOCOTUDOVSLFOB-UHFFFAOYSA-N
    CAS 147118-37-4
    1 2D Structure

    CAS 147118-37-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
    2.1.2 InChI
    InChI=1S/C16H18FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-10H,1-4H3
    2.1.3 InChI Key
    WOCOTUDOVSLFOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=NC(=NC(=C1C=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Cyclo(-d-pro(1)-phe(2)-thr(3)-lys(4)(z)-trp(5)-phe(6)-)

    2. Cyclo(pro-phe-thr-lys(z)-trp-phe)

    3. Cyclo-pptl(z)tp

    4. Z 008

    5. Z-008

    2.2.2 Depositor-Supplied Synonyms

    1. 147118-37-4

    2. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl

    3. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carboxaldehyde

    4. N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-methanesulfonamide

    5. 118442-83-4

    6. Mfcd08458342

    7. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)-5-pyrimidinecarboxaldehyde

    8. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxaldehyde

    9. N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide

    10. Z 008

    11. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carbaldehyde

    12. Cyclo-pptl(z)tp

    13. Schembl13538

    14. Dtxsid50440553

    15. Bcp12611

    16. Cyclo(-d-pro(1)-phe(2)-thr(3)-lys(4)(z)-trp(5)-phe(6)-)

    17. Cyclo(pro-phe-thr-lys(z)-trp-phe)

    18. Ac-446

    19. Ac7788

    20. Zinc22016632

    21. Akos015896174

    22. Am84434

    23. Cs-w011866

    24. N-[4-(4-fluoro-phenyl)-5-formyl-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

    25. N-[4-(4-fluorophenyl)-5-formyl-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

    26. Ds-13681

    27. Methanesulfonamide, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-

    28. Sy035746

    29. Db-037933

    30. F0867

    31. Ft-0654059

    32. Ft-0658211

    33. A24788

    34. 118f374

    35. J-513516

    36. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carbaldehyde

    37. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-methyleneoxide

    38. N-[4-(4-fluorophenyl)-5-formyl-6-(propan-2-yl)pyrimidin-2-yl]-n-methylmethanesulfonamide

    39. N-[4-(4-fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-n-methylmethanesulfonamide

    40. N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide

    41. N-[4-(4-flurophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-n-methylmethylsulfonamide

    42. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino] Pyrimidinyl-5-yl-formyl

    43. N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl-n-methyl-methanesulfonamide;4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxaldehyde

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 351.4 g/mol
    Molecular Formula C16H18FN3O3S
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass351.10529078 g/mol
    Monoisotopic Mass351.10529078 g/mol
    Topological Polar Surface Area88.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity529
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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