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

Systemtic Name: 1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-6-hydroxy-4-oxo-2-thioxo-pyrimidin-5-yl]-[4-methoxy-3-[[2-(3-pyridyl)-1-piperidyl]methyl]phenyl]methyl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidene-5-pyrimidinyl]-[4-methoxy-3-[[2-(3-pyridinyl)-1-piperidinyl]methyl]phenyl]methyl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]-[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-6-hydroxy-4-keto-2-thioxo-pyrimidin-5-yl]-[4-methoxy-3-[[2-(3-pyridyl)piperidino]methyl]phenyl]methyl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C39H34F2N6O5S2 MolecularWeight: 768.851266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H34F2N6O5S2/c1-52-30-16-7-22(19-24(30)21-45-18-3-2-6-29(45)23-5-4-17-42-20-23)31(32-34(48)43-38(53)46(36(32)50)27-12-8-25(40)9-13-27)33-35(49)44-39(54)47(37(33)51)28-14-10-26(41)11-15-28/h4-5,7-17,19-20,29,31,50-51H,2-3,6,18,21H2,1H3,(H,43,48,53)(H,44,49,54)