ethyl 1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-3-27-19(24)14-5-4-10-22(11-14)17-16(23(25)26)18(21-12-20-17)28-15-8-6-13(2)7-9-15/h6-9,12,14H,3-5,10-11H2,1-2H3