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

Systemtic Name: 8-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1-ethyl-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(4-chlorobenzoyl)phenyl]methyl]-1-ethyl-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1-ethyl-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(4-chlorobenzoyl)phenyl]methyl]-1-ethyl-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[4-(4-chlorobenzoyl)benzyl]-1-ethyl-3-methyl-7H-purine-2,6-quinone Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=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

CCN1C(=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/C22H19ClN4O3/c1-3-27-21(29)18-20(26(2)22(27)30)25-17(24-18)12-13-4-6-14(7-5-13)19(28)15-8-10-16(23)11-9-15/h4-11H,3,12H2,1-2H3,(H,24,25)