2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-11-6-8-19(9-7-11)14(20)10-22-16-17-13-5-3-2-4-12(13)15(21)18-16/h2-5,11H,6-10H2,1H3,(H,17,18,21)/p-1