1,9-dimethyl-8-phenyl-3H-purine-2,6-dione

Systemtic Name: 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione Openeye Name: 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione CAS Name: 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione IUPAC Name: 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione Traditional Name: 1,9-dimethyl-8-phenyl-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

InChI

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