ethyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(phenylthio)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-2-26-18(23)13-7-6-10-21(11-13)16-15(22(24)25)17(20-12-19-16)27-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3