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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C[NH+]=CC=C2)NC=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

C1CCN(C(C1)C2=C[NH+]=CC=C2)NC=C3C(=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)