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

Systemtic Name: 5-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-(1-methyl-6-oxidanyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-3-methyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(6-hydroxy-1-methyl-4-oxo-3-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-methyl-6-oxo-1-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(6-hydroxy-1-methyl-4-oxo-3-phenyl-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-methyl-6-oxo-1-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(6-hydroxy-1-methyl-4-oxo-3-phenyl-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-methyl-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(6-hydroxy-4-keto-1-methyl-3-phenyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-keto-3-methyl-1-phenyl-2-thioxo-pyrimidin-4-olate Formula: C35H35N5O6S2 MolecularWeight: 685.8123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=S)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)C[NH+]4CCOCC4)C5=C(N(C(=S)N(C5=O)C6=CC=CC=C6)C)[O-])O

Isomeric SMILES

CN1C(=C(C(=O)N(C1=S)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)C[NH+]4CCOCC4)C5=C(N(C(=S)N(C5=O)C6=CC=CC=C6)C)[O-])O

InChI

InChI=1S/C35H35N5O6S2/c1-36-30(41)28(32(43)39(34(36)47)24-10-6-4-7-11-24)27(22-14-15-26(45-3)23(20-22)21-38-16-18-46-19-17-38)29-31(42)37(2)35(48)40(33(29)44)25-12-8-5-9-13-25/h4-15,20,27,41-42H,16-19,21H2,1-3H3