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

Systemtic Name: (5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[4-(azepan-1-ium-1-yl)phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[4-(1-azepan-1-iumyl)phenyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-5-[4-(azepan-1-ium-1-yl)benzylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-2-11-23-19(25)17(18(24)21-20(23)26)14-15-7-9-16(10-8-15)22-12-5-3-4-6-13-22/h2,7-10,14H,1,3-6,11-13H2,(H,21,24,26)/b17-14-