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

Systemtic Name: (5E)-6-oxidanylidene-1-propan-2-yl-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-isopropyl-6-oxo-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-1-propan-2-yl-5-[(3-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-1-propan-2-yl-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-isopropyl-6-keto-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CNCC2=C[NH+]=CC=C2)C(=NC1=S)[O-]

Isomeric SMILES

CC(C)N1C(=O)/C(=C/NCC2=C[NH+]=CC=C2)/C(=NC1=S)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-9(2)18-13(20)11(12(19)17-14(18)21)8-16-7-10-4-3-5-15-6-10/h3-6,8-9,16H,7H2,1-2H3,(H,17,19,21)/b11-8+