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

Systemtic Name: ethyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C15H23N5O4 MolecularWeight: 337.37422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O4/c1-4-24-15(21)11-6-5-7-19(8-11)14-12(20(22)23)13(16-9-17-14)18-10(2)3/h9-11H,4-8H2,1-3H3,(H,16,17,18)