(5E)-1-butan-2-yl-5-[[[4-(diethylazaniumyl)phenyl]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-butan-2-yl-5-[[[4-(diethylazaniumyl)phenyl]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[4-(diethylammonio)anilino]methylene]-6-oxo-1-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-butan-2-yl-5-[[4-(diethylammonio)anilino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-butan-2-yl-5-[[4-(diethylazaniumyl)anilino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[4-(diethylammonio)anilino]methylene]-6-keto-1-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNC2=CC=C(C=C2)[NH+](CC)CC)C(=NC1=S)[O-]

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/NC2=CC=C(C=C2)[NH+](CC)CC)/C(=NC1=S)[O-]

InChI

InChI=1S/C19H26N4O2S/c1-5-13(4)23-18(25)16(17(24)21-19(23)26)12-20-14-8-10-15(11-9-14)22(6-2)7-3/h8-13,20H,5-7H2,1-4H3,(H,21,24,26)/b16-12+