7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylthio]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[(2-keto-1H-quinolin-4-yl)methylthio]-1,3-dimethyl-xanthine Formula: C24H20ClN5O3S MolecularWeight: 493.9653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=O)NC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=O)NC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H20ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(12-14-7-9-16(25)10-8-14)23(27-21)34-13-15-11-19(31)26-18-6-4-3-5-17(15)18/h3-11H,12-13H2,1-2H3,(H,26,31)