methyl 1-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N6O5/c1-28-18(25)14-3-7-23(8-4-14)17-15(24(26)27)16(20-13-21-17)19-5-2-6-22-9-11-29-12-10-22/h13-14H,2-12H2,1H3,(H,19,20,21)