1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(phenylthio)pyrimidin-4-yl]isonipecotic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c21-16(22)11-6-8-19(9-7-11)14-13(20(23)24)15(18-10-17-14)25-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,21,22)