ethyl 1-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

InChI

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