(5E)-6-oxidanylidene-5-[[(2-pyridin-3-ylpiperidin-1-ium-1-yl)amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-6-oxidanylidene-5-[[(2-pyridin-3-ylpiperidin-1-ium-1-yl)amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-6-oxo-5-[[[2-(3-pyridyl)piperidin-1-ium-1-yl]amino]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-5-[[[2-(3-pyridinyl)-1-piperidin-1-iumyl]amino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-5-[[(2-pyridin-3-ylpiperidin-1-ium-1-yl)amino]methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[[[2-(3-pyridyl)piperidin-1-ium-1-yl]amino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)NC=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

C1CC[NH+](C(C1)C2=CN=CC=C2)N/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C15H17N5O2S/c21-13-11(14(22)19-15(23)18-13)9-17-20-7-2-1-5-12(20)10-4-3-6-16-8-10/h3-4,6,8-9,12,17H,1-2,5,7H2,(H2,18,19,21,22,23)