1-[4-oxidanylidene-6-(propylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-oxidanylidene-6-(propylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-oxo-6-(propylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-oxo-6-[(propylthio)methyl]-1H-pyrimidin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-oxo-6-(propylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-keto-6-[(propylthio)methyl]-1H-pyrimidin-2-yl]isonipecotic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCSCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N3O3S/c1-2-7-21-9-11-8-12(18)16-14(15-11)17-5-3-10(4-6-17)13(19)20/h8,10H,2-7,9H2,1H3,(H,19,20)(H,15,16,18)