3,7-dimethyl-8-phenyldiazenyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-phenyldiazenyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-phenylazo-purine-2,6-dione CAS Name: 3,7-dimethyl-8-phenyldiazenylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-phenyldiazenylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-phenylazo-xanthine Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O2/c1-18-9-10(19(2)13(21)15-11(9)20)14-12(18)17-16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,20,21)