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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-diethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-diethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3-diethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-diethylpurine-2,6-dione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-1,3-diethyl-xanthine Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-3-27-21-19(22(30)28(4-2)23(27)31)26(14-25-21)13-15-5-7-16(8-6-15)20(29)17-9-11-18(24)12-10-17/h5-12,14H,3-4,13H2,1-2H3