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

Systemtic Name: 1-[4-oxidanylidene-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(isopropylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-oxo-6-[(propan-2-ylthio)methyl]-1H-pyrimidin-2-yl]-4-piperidinecarboxylate IUPAC Name: 1-[4-oxo-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(isopropylthio)methyl]-4-keto-1H-pyrimidin-2-yl]isonipecotate Formula: C14H20N3O3S- MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)SCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-9(2)21-8-11-7-12(18)16-14(15-11)17-5-3-10(4-6-17)13(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,19,20)(H,15,16,18)/p-1