5-[[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]-(6-oxidanyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]-(6-oxidanyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-1-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[2-(3-pyridyl)-1-piperidyl]methyl]phenyl]methyl]-1-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-[[2-(3-pyridinyl)-1-piperidinyl]methyl]phenyl]methyl]-1-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methyl]-1-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(6-hydroxy-4-keto-1-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[2-(3-pyridyl)piperidino]methyl]phenyl]methyl]-1-phenyl-2-thioxo-pyrimidin-4-one Formula: C39H36N6O5S2 MolecularWeight: 732.87034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3=CC=CC=C3)O)C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)O)CN6CCCCC6C7=CN=CC=C7

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3=CC=CC=C3)O)C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)O)CN6CCCCC6C7=CN=CC=C7

InChI

InChI=1S/C39H36N6O5S2/c1-50-30-18-17-24(21-26(30)23-43-20-9-8-16-29(43)25-11-10-19-40-22-25)31(32-34(46)41-38(51)44(36(32)48)27-12-4-2-5-13-27)33-35(47)42-39(52)45(37(33)49)28-14-6-3-7-15-28/h2-7,10-15,17-19,21-22,29,31,48-49H,8-9,16,20,23H2,1H3,(H,41,46,51)(H,42,47,52)