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

Systemtic Name: methyl 1-[6-[(5-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(5-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(5-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H20N6O4/c1-11-3-4-13(18-9-11)21-15-14(23(25)26)16(20-10-19-15)22-7-5-12(6-8-22)17(24)27-2/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,19,20,21)