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

Systemtic Name: 1,7-bis[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methylpurine-2,6-dione Traditional Name: 1,7-bis[4-(4-chlorobenzoyl)benzyl]-3-methyl-xanthine Formula: C34H24Cl2N4O4 MolecularWeight: 623.48476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C=N2)CC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C=N2)CC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C34H24Cl2N4O4/c1-38-32-29(39(20-37-32)18-21-2-6-23(7-3-21)30(41)25-10-14-27(35)15-11-25)33(43)40(34(38)44)19-22-4-8-24(9-5-22)31(42)26-12-16-28(36)17-13-26/h2-17,20H,18-19H2,1H3