ethyl 1-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-3-28-18(25)13-6-9-23(10-7-13)17-14(24(26)27)16(20-11-21-17)22-15-12(2)5-4-8-19-15/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,19,20,21,22)