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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C[NH+]4CCOCC4)C5=C(N(C(=S)NC5=O)C6=CC=C(C=C6)C)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C[NH+]4CCOCC4)C5=C(N(C(=S)NC5=O)C6=CC=C(C=C6)C)[O-])O

InChI

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