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

Systemtic Name: 8-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-[4-(4-chlorobenzoyl)benzyl]-3-methyl-1-propyl-7H-purine-2,6-quinone Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=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

CCCN1C(=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/C23H21ClN4O3/c1-3-12-28-22(30)19-21(27(2)23(28)31)26-18(25-19)13-14-4-6-15(7-5-14)20(29)16-8-10-17(24)11-9-16/h4-11H,3,12-13H2,1-2H3,(H,25,26)