methyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(phenylthio)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-25-17(22)12-7-9-20(10-8-12)15-14(21(23)24)16(19-11-18-15)26-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3