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

Systemtic Name: (5E)-1-(2,4-dimethylphenyl)-6-oxidanylidene-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(2,4-dimethylphenyl)-6-oxo-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(2,4-dimethylphenyl)-6-oxo-5-[(3-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(2,4-dimethylphenyl)-6-oxo-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(2,4-dimethylphenyl)-6-keto-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNCC3=C[NH+]=CC=C3)C(=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C/NCC3=C[NH+]=CC=C3)/C(=NC2=S)[O-])C

InChI

InChI=1S/C19H18N4O2S/c1-12-5-6-16(13(2)8-12)23-18(25)15(17(24)22-19(23)26)11-21-10-14-4-3-7-20-9-14/h3-9,11,21H,10H2,1-2H3,(H,22,24,26)/b15-11+