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

Systemtic Name: 1,3-dimethyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-phenylbenzyl)xanthine Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2/c1-22-18-17(19(25)23(2)20(22)26)24(13-21-18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3