5-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)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-(1-pyrrolidinylmethyl)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-(pyrrolidin-1-ylmethyl)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-(pyrrolidinomethyl)phenyl]methyl]-1-methyl-2-thioxo-pyrimidin-4-one Formula: C23H27N5O5S2 MolecularWeight: 517.62098

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)CN3CCCC3)C4=C(N(C(=S)NC4=O)C)O)O

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCCC3)C4=C(N(C(=S)NC4=O)C)O)O

InChI

InChI=1S/C23H27N5O5S2/c1-26-20(31)16(18(29)24-22(26)34)15(17-19(30)25-23(35)27(2)21(17)32)12-6-7-14(33-3)13(10-12)11-28-8-4-5-9-28/h6-7,10,15,31-32H,4-5,8-9,11H2,1-3H3,(H,24,29,34)(H,25,30,35)