5-[[4-methoxy-3-(pyrrolidin-1-ium-1-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-(pyrrolidin-1-ium-1-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-(pyrrolidin-1-ium-1-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-(1-pyrrolidin-1-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-(pyrrolidin-1-ium-1-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-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-6-keto-3-phenyl-2-thioxo-pyrimidin-4-olate Formula: C33H31N5O5S2 MolecularWeight: 641.75974

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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+]6CCCC6

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+]6CCCC6

InChI

InChI=1S/C33H31N5O5S2/c1-43-24-15-14-20(18-21(24)19-36-16-8-9-17-36)25(26-28(39)34-32(44)37(30(26)41)22-10-4-2-5-11-22)27-29(40)35-33(45)38(31(27)42)23-12-6-3-7-13-23/h2-7,10-15,18,25,41-42H,8-9,16-17,19H2,1H3,(H,34,39,44)(H,35,40,45)