3-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-5-[[1-(2,5-dimethoxyphenyl)-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: C38H41N5O9S2 MolecularWeight: 775.89024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C[NH+]4CCCCC4)C5=C(N(C(=S)NC5=O)C6=C(C=CC(=C6)OC)OC)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C[NH+]4CCCCC4)C5=C(N(C(=S)NC5=O)C6=C(C=CC(=C6)OC)OC)[O-])O

InChI

InChI=1S/C38H41N5O9S2/c1-48-23-10-13-28(51-4)25(18-23)42-35(46)31(33(44)39-37(42)53)30(21-9-12-27(50-3)22(17-21)20-41-15-7-6-8-16-41)32-34(45)40-38(54)43(36(32)47)26-19-24(49-2)11-14-29(26)52-5/h9-14,17-19,30,46-47H,6-8,15-16,20H2,1-5H3,(H,39,44,53)(H,40,45,54)