ethyl 4-[4-chloranyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-chloranyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-chloro-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C15H21ClN6O5S MolecularWeight: 432.88244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])[N+]3(CCSCC3)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])[N+]3(CCSCC3)[O-]

InChI

InChI=1S/C15H21ClN6O5S/c1-2-27-15(23)20-5-3-19(4-6-20)14-17-12(16)11(21(24)25)13(18-14)22(26)7-9-28-10-8-22/h2-10H2,1H3