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

Systemtic Name: ethyl 1-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H30N6O5 MolecularWeight: 422.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N6O5/c1-2-30-19(26)15-5-3-8-24(13-15)18-16(25(27)28)17(21-14-22-18)20-6-4-7-23-9-11-29-12-10-23/h14-15H,2-13H2,1H3,(H,20,21,22)