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

Systemtic Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-6-keto-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O2S/c1-3-4-18-12(20)10(11(19)15-13(18)21)9-14-17-7-5-16(2)6-8-17/h3,9,14H,1,4-8H2,2H3,(H,15,19,21)/b10-9+