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

Systemtic Name: 3,7-dimethyl-8-phenylazanyl-purine-2,6-dione Openeye Name: 8-anilino-3,7-dimethyl-purine-2,6-dione CAS Name: 8-anilino-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-anilino-3,7-dimethylpurine-2,6-dione Traditional Name: 8-anilino-3,7-dimethyl-xanthine Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H13N5O2/c1-17-9-10(18(2)13(20)16-11(9)19)15-12(17)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)(H,16,19,20)