1,3-dimethyl-7-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenylphenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(4-phenylphenyl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-phenylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)12-17(26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3