3,9-dimethyl-8-phenyl-purine-2,6-dione

Systemtic Name: 3,9-dimethyl-8-phenyl-purine-2,6-dione Openeye Name: 3,9-dimethyl-8-phenyl-purine-2,6-dione CAS Name: 3,9-dimethyl-8-phenylpurine-2,6-dione IUPAC Name: 3,9-dimethyl-8-phenylpurine-2,6-dione Traditional Name: 3,9-dimethyl-8-phenyl-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC(=O)N2C)N=C1C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC(=O)N2C)N=C1C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-16-10(8-6-4-3-5-7-8)14-9-11(18)15-13(19)17(2)12(9)16/h3-7H,1-2H3,(H,15,18,19)