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

Systemtic Name: 7-[[4-(4-hydroxyphenyl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-hydroxybenzoyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-hydroxyphenyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-hydroxybenzoyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-hydroxybenzoyl)benzyl]-1,3-dimethyl-xanthine Formula: C21H18N4O4 MolecularWeight: 390.39202

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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)C(=O)C4=CC=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-23-19-17(20(28)24(2)21(23)29)25(12-22-19)11-13-3-5-14(6-4-13)18(27)15-7-9-16(26)10-8-15/h3-10,12,26H,11H2,1-2H3