3-cyclohexyl-5-[(1-cyclohexyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclohexyl-5-[(1-cyclohexyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-cyclohexyl-5-[(1-cyclohexyl-6-hydroxy-4-oxo-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-cyclohexyl-5-[(1-cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-cyclohexyl-5-[(1-cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-cyclohexyl-5-[(1-cyclohexyl-6-hydroxy-4-keto-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C34H45N5O5S2 MolecularWeight: 667.8816

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)C3CCCCC3)O)C4=C(N(C(=S)NC4=O)C5CCCCC5)[O-])C[NH+]6CCCCC6

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3CCCCC3)O)C4=C(N(C(=S)NC4=O)C5CCCCC5)[O-])C[NH+]6CCCCC6

InChI

InChI=1S/C34H45N5O5S2/c1-44-25-16-15-21(19-22(25)20-37-17-9-4-10-18-37)26(27-29(40)35-33(45)38(31(27)42)23-11-5-2-6-12-23)28-30(41)36-34(46)39(32(28)43)24-13-7-3-8-14-24/h15-16,19,23-24,26,42-43H,2-14,17-18,20H2,1H3,(H,35,40,45)(H,36,41,46)