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

Systemtic Name: 3-butyl-5-[(1-butyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-thioxo-pyrimidin-5-yl)-[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]methyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanylidene-5-pyrimidinyl)-[3-[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-4-methoxyphenyl]methyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxyphenyl]methyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-keto-2-thioxo-pyrimidin-5-yl)-[3-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]methyl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C32H45N5O5S2 MolecularWeight: 643.8602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C[NH+]3CCCC(C3)(C)C)C4=C(N(C(=S)NC4=O)CCCC)[O-])O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C[NH+]3CCCC(C3)(C)C)C4=C(N(C(=S)NC4=O)CCCC)[O-])O

InChI

InChI=1S/C32H45N5O5S2/c1-6-8-15-36-28(40)24(26(38)33-30(36)43)23(25-27(39)34-31(44)37(29(25)41)16-9-7-2)20-11-12-22(42-5)21(17-20)18-35-14-10-13-32(3,4)19-35/h11-12,17,23,40-41H,6-10,13-16,18-19H2,1-5H3,(H,33,38,43)(H,34,39,44)