(5Z)-5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-6-oxidanylidene-1-phenethyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-6-oxidanylidene-1-phenethyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[[2-(dimethylammonio)ethylamino]methylene]-6-oxo-1-phenethyl-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[2-(dimethylammonio)ethylamino]methylidene]-6-oxo-1-phenethyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-6-oxo-1-phenethyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[[2-(dimethylammonio)ethylamino]methylene]-6-keto-1-phenethyl-2-thioxo-pyrimidin-4-olate Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC=C1C(=NC(=S)N(C1=O)CCC2=CC=CC=C2)[O-]

Isomeric SMILES

C[NH+](C)CCN/C=C\1/C(=NC(=S)N(C1=O)CCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H22N4O2S/c1-20(2)11-9-18-12-14-15(22)19-17(24)21(16(14)23)10-8-13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,22,24)/b14-12-