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

Systemtic Name: ethyl 4-(4-methoxy-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-methoxy-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-methoxy-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-methoxy-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C16H24N6O5S MolecularWeight: 412.46396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O5S/c1-3-27-16(23)21-6-4-20(5-7-21)15-17-13(19-8-10-28-11-9-19)12(22(24)25)14(18-15)26-2/h3-11H2,1-2H3