ethyl 1-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H27N5O4 MolecularWeight: 365.42738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O4/c1-4-26-17(23)13-6-5-9-21(10-13)16-14(22(24)25)15(19-11-20-16)18-8-7-12(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)