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

Systemtic Name: ethyl 1-[6-[2-methoxyethyl(propyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-methoxyethyl(propyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-methoxyethyl(propyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-methoxyethyl(propyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-methoxyethyl(propyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C18H29N5O5/c1-4-8-21(11-12-27-3)16-15(23(25)26)17(20-13-19-16)22-9-6-14(7-10-22)18(24)28-5-2/h13-14H,4-12H2,1-3H3