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

Systemtic Name: 5-[[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]-(1-methyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[2-(3-pyridyl)-1-piperidyl]methyl]phenyl]methyl]-1-methyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-[[2-(3-pyridinyl)-1-piperidinyl]methyl]phenyl]methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(6-hydroxy-4-keto-1-methyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[2-(3-pyridyl)piperidino]methyl]phenyl]methyl]-1-methyl-2-thioxo-pyrimidin-4-one Formula: C29H32N6O5S2 MolecularWeight: 608.73158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCCCC3C4=CN=CC=C4)C5=C(N(C(=S)NC5=O)C)O)O

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCCCC3C4=CN=CC=C4)C5=C(N(C(=S)NC5=O)C)O)O

InChI

InChI=1S/C29H32N6O5S2/c1-33-26(38)22(24(36)31-28(33)41)21(23-25(37)32-29(42)34(2)27(23)39)16-9-10-20(40-3)18(13-16)15-35-12-5-4-8-19(35)17-7-6-11-30-14-17/h6-7,9-11,13-14,19,21,38-39H,4-5,8,12,15H2,1-3H3,(H,31,36,41)(H,32,37,42)