methyl 1-[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-methyl-8-quinolinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(2-methylquinolin-8-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC)C=C1

InChI

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