methyl 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C15H23N5O5 MolecularWeight: 353.37362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C15H23N5O5/c1-24-9-3-6-16-13-12(20(22)23)14(18-10-17-13)19-7-4-11(5-8-19)15(21)25-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)