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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CCCN1C(=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/c1-3-12-28-22(30)19-21(26(2)23(28)31)25-14-27(19)13-15-4-6-16(7-5-15)20(29)17-8-10-18(24)11-9-17/h4-11,14H,3,12-13H2,1-2H3