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

Systemtic Name: ethyl 1-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

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