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

Systemtic Name: 5-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-(1-methyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(6-hydroxy-1-methyl-4-oxo-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-methyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(6-hydroxy-4-keto-1-methyl-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-keto-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C23H27N5O6S2 MolecularWeight: 533.62038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)C4=C(N(C(=S)NC4=O)C)[O-])O

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)C4=C(N(C(=S)NC4=O)C)[O-])O

InChI

InChI=1S/C23H27N5O6S2/c1-26-20(31)16(18(29)24-22(26)35)15(17-19(30)25-23(36)27(2)21(17)32)12-4-5-14(33-3)13(10-12)11-28-6-8-34-9-7-28/h4-5,10,15,31-32H,6-9,11H2,1-3H3,(H,24,29,35)(H,25,30,36)