ethyl 4-[(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]piperidine-1-carboxylate CAS Name: 4-[(5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H24N6O4S MolecularWeight: 396.46456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCSCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCSCC3

InChI

InChI=1S/C16H24N6O4S/c1-2-26-16(23)21-5-3-12(4-6-21)19-14-13(22(24)25)15(18-11-17-14)20-7-9-27-10-8-20/h11-12H,2-10H2,1H3,(H,17,18,19)