1,3-dimethyl-7-phenyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenyl-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3

InChI

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