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

Systemtic Name: (5E)-1-cyclohexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-cyclohexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-cyclohexyl-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-cyclohexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-cyclohexyl-6-keto-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=NC(=S)N(C2=O)C3CCCCC3)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=NC(=S)N(C2=O)C3CCCCC3)[O-]

InChI

InChI=1S/C16H25N5O2S/c1-19-7-9-20(10-8-19)17-11-13-14(22)18-16(24)21(15(13)23)12-5-3-2-4-6-12/h11-12,17H,2-10H2,1H3,(H,18,22,24)/b13-11+