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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3H-purine-2,6-dione hydrochloride Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3H-purine-2,6-dione hydrochloride CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3H-purine-2,6-dione hydrochloride IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3H-purine-2,6-dione hydrochloride Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]xanthine hydrochloride Formula: C19H14Cl2N4O3 MolecularWeight: 417.24546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)NC(=O)N3)C(=O)C4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)NC(=O)N3)C(=O)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C19H13ClN4O3.ClH/c20-14-7-5-13(6-8-14)16(25)12-3-1-11(2-4-12)9-24-10-21-17-15(24)18(26)23-19(27)22-17;/h1-8,10H,9H2,(H2,22,23,26,27);1H