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

Systemtic Name: ethyl 1-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C16H23N5O4S MolecularWeight: 381.44992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCSCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCSCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4S/c1-2-25-16(22)12-3-5-19(6-4-12)14-13(21(23)24)15(18-11-17-14)20-7-9-26-10-8-20/h11-12H,2-10H2,1H3