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

Systemtic Name: 5-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-(6-oxidanyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(6-hydroxy-4-oxo-1-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxo-3-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(6-hydroxy-4-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methyl]-6-oxo-3-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(6-hydroxy-4-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxo-3-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(6-hydroxy-4-keto-1-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-keto-3-phenyl-2-thioxo-pyrimidin-4-olate Formula: C33H31N5O6S2 MolecularWeight: 657.75914

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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=CC=C3)O)C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)[O-])C[NH+]6CCOCC6

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3=CC=CC=C3)O)C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)[O-])C[NH+]6CCOCC6

InChI

InChI=1S/C33H31N5O6S2/c1-43-24-13-12-20(18-21(24)19-36-14-16-44-17-15-36)25(26-28(39)34-32(45)37(30(26)41)22-8-4-2-5-9-22)27-29(40)35-33(46)38(31(27)42)23-10-6-3-7-11-23/h2-13,18,25,41-42H,14-17,19H2,1H3,(H,34,39,45)(H,35,40,46)