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

Systemtic Name: (5Z)-5-[[3-(dimethylazaniumyl)propylamino]methylidene]-6-oxidanylidene-1-propan-2-yl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[[3-(dimethylammonio)propylamino]methylene]-1-isopropyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[3-(dimethylammonio)propylamino]methylidene]-6-oxo-1-propan-2-yl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[3-(dimethylazaniumyl)propylamino]methylidene]-6-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[[3-(dimethylammonio)propylamino]methylene]-1-isopropyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CNCCC[NH+](C)C)C(=NC1=S)[O-]

Isomeric SMILES

CC(C)N1C(=O)/C(=C\NCCC[NH+](C)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C13H22N4O2S/c1-9(2)17-12(19)10(11(18)15-13(17)20)8-14-6-5-7-16(3)4/h8-9,14H,5-7H2,1-4H3,(H,15,18,20)/b10-8-