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

Systemtic Name: (5E)-1-(3-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(3-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(3-methoxyphenyl)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(3-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-(3-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=NC(=S)N(C2=O)C3=CC(=CC=C3)OC)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=NC(=S)N(C2=O)C3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C17H21N5O3S/c1-20-6-8-21(9-7-20)18-11-14-15(23)19-17(26)22(16(14)24)12-4-3-5-13(10-12)25-2/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,23,26)/b14-11+