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

Systemtic Name: (5E)-1-ethyl-6-oxidanylidene-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-ethyl-6-oxo-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-ethyl-6-oxo-5-[(2-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-ethyl-6-oxo-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-ethyl-6-keto-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNCC2=CC=CC=[NH+]2)C(=NC1=S)[O-]

Isomeric SMILES

CCN1C(=O)/C(=C/NCC2=CC=CC=[NH+]2)/C(=NC1=S)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-2-17-12(19)10(11(18)16-13(17)20)8-14-7-9-5-3-4-6-15-9/h3-6,8,14H,2,7H2,1H3,(H,16,18,20)/b10-8+