ethyl 1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-cyanoethyl(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-cyanoethyl(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-cyanoethyl(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c1-2-30-20(27)15-6-10-24(11-7-15)18-17(26(28)29)19(23-14-22-18)25(9-4-8-21)13-16-5-3-12-31-16/h3,5,12,14-15H,2,4,6-7,9-11,13H2,1H3