1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7,8-dichloro-1,3-dimethylbenzo[g]pteridine-2,4-dione

2.1.2 InChI

InChI=1S/C12H8Cl2N4O2/c1-17-10-9(11(19)18(2)12(17)20)15-7-3-5(13)6(14)4-8(7)16-10/h3-4H,1-2H3

2.1.3 InChI Key

CWKFFKFSIUCYMZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=NC3=CC(=C(C=C3N=C2C(=O)N(C1=O)C)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Zinc584639831

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₈Cl₂N₄O₂
Molecular Weight	311.12 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	310.0024309 g/mol
Monoisotopic Mass	310.0024309 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

SJKGDNPIYYAYER-XPYUAMARSA-N