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

Systemtic Name: ethyl 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H25N7O4 MolecularWeight: 403.4356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O4/c1-2-29-18(26)14-4-9-24(10-5-14)17-15(25(27)28)16(21-12-22-17)20-6-3-8-23-11-7-19-13-23/h7,11-14H,2-6,8-10H2,1H3,(H,20,21,22)