5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-1-(3,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-1-(3,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[2-(dimethylammonio)ethylamino]methylene]-1-(3,5-dimethylphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[2-(dimethylammonio)ethylamino]methylidene]-1-(3,5-dimethylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[2-(dimethylazaniumyl)ethylamino]methylidene]-1-(3,5-dimethylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[2-(dimethylammonio)ethylamino]methylene]-1-(3,5-dimethylphenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CNCC[NH+](C)C)C(=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=CNCC[NH+](C)C)C(=NC2=S)[O-])C

InChI

InChI=1S/C17H22N4O2S/c1-11-7-12(2)9-13(8-11)21-16(23)14(15(22)19-17(21)24)10-18-5-6-20(3)4/h7-10,18H,5-6H2,1-4H3,(H,19,22,24)