ethyl 1-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-2-31-21(28)15-8-11-26(12-9-15)20-18(27(29)30)19(23-13-24-20)25-16-7-3-5-14-6-4-10-22-17(14)16/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,23,24,25)