1-butyl-8-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-butyl-8-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-butyl-8-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-butyl-8-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-butyl-8-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-butyl-8-[4-(4-chlorobenzoyl)benzyl]-3-methyl-7H-purine-2,6-quinone Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)CC3=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(28(2)24(29)32)27-19(26-20)14-15-5-7-16(8-6-15)21(30)17-9-11-18(25)12-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,26,27)