(5Z)-1-(4-methylphenyl)-6-oxidanylidene-5-[[[(2S)-2-pyridin-3-ylpiperidin-1-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(4-methylphenyl)-6-oxidanylidene-5-[[[(2S)-2-pyridin-3-ylpiperidin-1-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-6-oxo-1-(p-tolyl)-5-[[[(2S)-2-(3-pyridyl)-1-piperidyl]amino]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(4-methylphenyl)-6-oxo-5-[[[(2S)-2-(3-pyridinyl)-1-piperidinyl]amino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(4-methylphenyl)-6-oxo-5-[[[(2S)-2-pyridin-3-ylpiperidin-1-yl]amino]methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-1-(p-tolyl)-5-[[[(2S)-2-(3-pyridyl)piperidino]amino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C22H22N5O2S- MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNN3CCCCC3C4=CN=CC=C4)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\NN3CCCC[C@H]3C4=CN=CC=C4)/C(=NC2=S)[O-]

InChI

InChI=1S/C22H23N5O2S/c1-15-7-9-17(10-8-15)27-21(29)18(20(28)25-22(27)30)14-24-26-12-3-2-6-19(26)16-5-4-11-23-13-16/h4-5,7-11,13-14,19,24H,2-3,6,12H2,1H3,(H,25,28,30)/p-1/b18-14-/t19-/m0/s1