5-[[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-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-[[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-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-[[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]-(6-hydroxy-1-methyl-4-oxo-2-thioxo-pyrimidin-5-yl)methyl]-3-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[3-[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-4-methoxyphenyl]-(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-3-methyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxyphenyl]-(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-3-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]-(6-hydroxy-4-keto-1-methyl-2-thioxo-pyrimidin-5-yl)methyl]-6-keto-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C26H33N5O5S2 MolecularWeight: 559.70072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CC2=C(C=CC(=C2)C(C3=C(N(C(=S)NC3=O)C)O)C4=C(N(C(=S)NC4=O)C)[O-])OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CC2=C(C=CC(=C2)C(C3=C(N(C(=S)NC3=O)C)O)C4=C(N(C(=S)NC4=O)C)[O-])OC)C

InChI

InChI=1S/C26H33N5O5S2/c1-26(2)9-6-10-31(13-26)12-15-11-14(7-8-16(15)36-5)17(18-20(32)27-24(37)29(3)22(18)34)19-21(33)28-25(38)30(4)23(19)35/h7-8,11,17,34-35H,6,9-10,12-13H2,1-5H3,(H,27,32,37)(H,28,33,38)