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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-3-27-21-19(22(30)28(4-2)23(27)31)25-18(26-21)13-14-5-7-15(8-6-14)20(29)16-9-11-17(24)12-10-16/h5-12H,3-4,13H2,1-2H3,(H,25,26)