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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

InChI

InChI=1S/C23H21ClN4O3/c1-14(2)28-22(30)19-21(26(3)23(28)31)25-13-27(19)12-15-4-6-16(7-5-15)20(29)17-8-10-18(24)11-9-17/h4-11,13-14H,12H2,1-3H3