ethyl 1-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

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