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

Systemtic Name: ethyl 4-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-3-27-18(24)22-10-8-21(9-11-22)16-15(23(25)26)17(20-12-19-16)28-14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3