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

Systemtic Name: (5E)-1-[(2S)-butan-2-yl]-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-[(1S)-1-methylpropyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-[(2S)-butan-2-yl]-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-[(2S)-butan-2-yl]-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-[(1S)-1-methylpropyl]-2-thioxo-pyrimidin-4-olate Formula: C14H23N5O2S MolecularWeight: 325.42972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNN2CC[NH+](CC2)C)C(=NC1=S)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=O)/C(=C/NN2CC[NH+](CC2)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C14H23N5O2S/c1-4-10(2)19-13(21)11(12(20)16-14(19)22)9-15-18-7-5-17(3)6-8-18/h9-10,15H,4-8H2,1-3H3,(H,16,20,22)/b11-9+/t10-/m0/s1