1-[2-(cyclohexen-1-yl)ethyl]-5-[[3-(dimethylazaniumyl)propylamino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[3-(dimethylazaniumyl)propylamino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[3-(dimethylammonio)propylamino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[[3-(dimethylammonio)propylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[3-(dimethylazaniumyl)propylamino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[[3-(dimethylammonio)propylamino]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC=C1C(=NC(=S)N(C1=O)CCC2=CCCCC2)[O-]

Isomeric SMILES

C[NH+](C)CCCNC=C1C(=NC(=S)N(C1=O)CCC2=CCCCC2)[O-]

InChI

InChI=1S/C18H28N4O2S/c1-21(2)11-6-10-19-13-15-16(23)20-18(25)22(17(15)24)12-9-14-7-4-3-5-8-14/h7,13,19H,3-6,8-12H2,1-2H3,(H,20,23,25)