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

Systemtic Name: methyl 1-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-25-16(22)11-6-8-20(9-7-11)15-13(21(23)24)14(17-10-18-15)19-12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H,17,18,19)