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

Systemtic Name: methyl 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H23N7O4 MolecularWeight: 389.40902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O4/c1-28-17(25)13-3-8-23(9-4-13)16-14(24(26)27)15(20-11-21-16)19-5-2-7-22-10-6-18-12-22/h6,10-13H,2-5,7-9H2,1H3,(H,19,20,21)