tert-butyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C17H28N6O5 MolecularWeight: 396.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCN2CCOCC2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCN2CCOCC2

InChI

InChI=1S/C17H28N6O5/c1-17(2,3)28-13(24)11-21(4)16-14(23(25)26)15(19-12-20-16)18-5-6-22-7-9-27-10-8-22/h12H,5-11H2,1-4H3,(H,18,19,20)