8-[(3-chlorophenyl)diazenyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(3-chlorophenyl)diazenyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3-chlorophenyl)azo-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-chlorophenyl)azo-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(3-chlorophenyl)diazenyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-chlorophenyl)azo-3,7-dimethyl-xanthine Formula: C13H11ClN6O2 MolecularWeight: 318.71844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N=NC3=CC(=CC=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N=NC3=CC(=CC=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H11ClN6O2/c1-19-9-10(20(2)13(22)16-11(9)21)15-12(19)18-17-8-5-3-4-7(14)6-8/h3-6H,1-2H3,(H,16,21,22)