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

Systemtic Name: methyl 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(propylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C14H21N5O4/c1-3-6-15-12-11(19(21)22)13(17-9-16-12)18-7-4-10(5-8-18)14(20)23-2/h9-10H,3-8H2,1-2H3,(H,15,16,17)