methyl 1-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-26-17(23)12-7-9-21(10-8-12)16-14(22(24)25)15(18-11-19-16)20-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,19,20)