5-[[4-methoxy-3-(piperidin-1-ium-1-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-(piperidin-1-ium-1-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-(piperidin-1-ium-1-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-(1-piperidin-1-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-(piperidin-1-ium-1-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-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-6-keto-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C24H29N5O5S2 MolecularWeight: 531.64756

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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+]3CCCCC3)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+]3CCCCC3)C4=C(N(C(=S)NC4=O)C)[O-])O

InChI

InChI=1S/C24H29N5O5S2/c1-27-21(32)17(19(30)25-23(27)35)16(18-20(31)26-24(36)28(2)22(18)33)13-7-8-15(34-3)14(11-13)12-29-9-5-4-6-10-29/h7-8,11,16,32-33H,4-6,9-10,12H2,1-3H3,(H,25,30,35)(H,26,31,36)