(5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-1-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-1-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylene]-1-ethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[4-(1-azepan-1-iumyl)phenyl]methylidene]-1-ethyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-1-ethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[4-(azepan-1-ium-1-yl)benzylidene]-1-ethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)[NH+]3CCCCCC3)C(=NC1=S)[O-]

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CC=C(C=C2)[NH+]3CCCCCC3)/C(=NC1=S)[O-]

InChI

InChI=1S/C19H23N3O2S/c1-2-22-18(24)16(17(23)20-19(22)25)13-14-7-9-15(10-8-14)21-11-5-3-4-6-12-21/h7-10,13H,2-6,11-12H2,1H3,(H,20,23,25)/b16-13-