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

Systemtic Name: methyl 1-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N6O4/c1-28-18(25)14-5-10-23(11-6-14)17-15(24(26)27)16(20-13-21-17)19-7-12-22-8-3-2-4-9-22/h13-14H,2-12H2,1H3,(H,19,20,21)