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

Systemtic Name: 5-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 5-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-keto-2-thioxo-1H-pyrimidin-6-olate Formula: C21H23N5O6S2 MolecularWeight: 505.56722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)[O-])C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)[O-])C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N5O6S2/c1-31-12-3-2-10(8-11(12)9-26-4-6-32-7-5-26)13(14-16(27)22-20(33)23-17(14)28)15-18(29)24-21(34)25-19(15)30/h2-3,8,13H,4-7,9H2,1H3,(H3,22,23,27,28,33)(H3,24,25,29,30,34)