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

Systemtic Name: methyl 1-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H25N5O4/c1-11(2)4-7-17-14-13(21(23)24)15(19-10-18-14)20-8-5-12(6-9-20)16(22)25-3/h10-12H,4-9H2,1-3H3,(H,17,18,19)