1,3-dimethyl-7-(phenylcarbonyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylcarbonyl)purine-2,6-dione Openeye Name: 7-benzoyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-benzoyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-benzoyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzoyl-1,3-dimethyl-xanthine Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3/c1-16-11-10(13(20)17(2)14(16)21)18(8-15-11)12(19)9-6-4-3-5-7-9/h3-8H,1-2H3