(5E)-1-(3-methylphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(3-methylphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-(m-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(3-methylphenyl)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(3-methylphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-(m-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNN3CC[NH+](CC3)C)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/NN3CC[NH+](CC3)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C17H21N5O2S/c1-12-4-3-5-13(10-12)22-16(24)14(15(23)19-17(22)25)11-18-21-8-6-20(2)7-9-21/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,23,25)/b14-11+