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

Systemtic Name: 1-butyl-7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-butyl-7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-purine-2,6-dione CAS Name: 1-butyl-7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-butyl-7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methylpurine-2,6-dione Traditional Name: 1-butyl-7-[4-(4-chlorobenzoyl)benzyl]-3-methyl-xanthine Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

InChI

InChI=1S/C24H23ClN4O3/c1-3-4-13-29-23(31)20-22(27(2)24(29)32)26-15-28(20)14-16-5-7-17(8-6-16)21(30)18-9-11-19(25)12-10-18/h5-12,15H,3-4,13-14H2,1-2H3