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

Systemtic Name: methyl 1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-12-4-3-7-21(10-12)16-14(22(24)25)15(18-11-19-16)20-8-5-13(6-9-20)17(23)26-2/h11-13H,3-10H2,1-2H3