(5Z)-1-(4-methylphenyl)-6-oxidanylidene-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(4-methylphenyl)-6-oxidanylidene-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-6-oxo-5-[(1-piperidylamino)methylene]-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(4-methylphenyl)-6-oxo-5-[(1-piperidinylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(4-methylphenyl)-6-oxo-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-5-[(piperidinoamino)methylene]-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C17H19N4O2S- MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNN3CCCCC3)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\NN3CCCCC3)/C(=NC2=S)[O-]

InChI

InChI=1S/C17H20N4O2S/c1-12-5-7-13(8-6-12)21-16(23)14(15(22)19-17(21)24)11-18-20-9-3-2-4-10-20/h5-8,11,18H,2-4,9-10H2,1H3,(H,19,22,24)/p-1/b14-11-