ethyl 4-(4-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-chloro-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C15H21ClN6O4S MolecularWeight: 416.88304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])N3CCSCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])N3CCSCC3

InChI

InChI=1S/C15H21ClN6O4S/c1-2-26-15(23)21-5-3-20(4-6-21)14-17-12(16)11(22(24)25)13(18-14)19-7-9-27-10-8-19/h2-10H2,1H3