ethyl 1-(2-sulfanylidene-1H-pyrimidin-6-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-sulfanylidene-1H-pyrimidin-6-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-thioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate CAS Name: 1-(2-sulfanylidene-1H-pyrimidin-6-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-sulfanylidene-1H-pyrimidin-6-yl)piperidine-4-carboxylate Traditional Name: 1-(2-thioxo-1H-pyrimidin-6-yl)isonipecotic acid ethyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=NC(=S)N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=NC(=S)N2

InChI

InChI=1S/C12H17N3O2S/c1-2-17-11(16)9-4-7-15(8-5-9)10-3-6-13-12(18)14-10/h3,6,9H,2,4-5,7-8H2,1H3,(H,13,14,18)