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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-3-27-19(24)14-8-10-22(11-9-14)17-16(23(25)26)18(21-12-20-17)28-15-6-4-13(2)5-7-15/h4-7,12,14H,3,8-11H2,1-2H3