1-[6-(ethylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(ethylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(ethylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(ethylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(ethylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(ethylthio)methyl]-4-keto-1H-pyrimidin-2-yl]isonipecotate Formula: C13H18N3O3S- MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCSCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H19N3O3S/c1-2-20-8-10-7-11(17)15-13(14-10)16-5-3-9(4-6-16)12(18)19/h7,9H,2-6,8H2,1H3,(H,18,19)(H,14,15,17)/p-1