1-methyl-5-[[[4-(1-methylpiperidin-1-ium-4-yl)phenyl]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-methyl-5-[[[4-(1-methylpiperidin-1-ium-4-yl)phenyl]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-methyl-5-[[4-(1-methylpiperidin-1-ium-4-yl)anilino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-methyl-5-[[4-(1-methyl-4-piperidin-1-iumyl)anilino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-methyl-5-[[4-(1-methylpiperidin-1-ium-4-yl)anilino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-1-methyl-5-[[4-(1-methylpiperidin-1-ium-4-yl)anilino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC=C(C=C2)NC=C3C(=NC(=S)N(C3=O)C)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC=C(C=C2)NC=C3C(=NC(=S)N(C3=O)C)[O-]

InChI

InChI=1S/C18H22N4O2S/c1-21-9-7-13(8-10-21)12-3-5-14(6-4-12)19-11-15-16(23)20-18(25)22(2)17(15)24/h3-6,11,13,19H,7-10H2,1-2H3,(H,20,23,25)