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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C15H23N5O4/c1-3-7-16-13-12(20(22)23)14(18-10-17-13)19-8-5-6-11(9-19)15(21)24-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)