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

Systemtic Name: tert-butyl 2-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2-acetamidoethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2-acetamidoethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C15H24N6O5 MolecularWeight: 368.38826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H24N6O5/c1-10(22)16-6-7-17-13-12(21(24)25)14(19-9-18-13)20(5)8-11(23)26-15(2,3)4/h9H,6-8H2,1-5H3,(H,16,22)(H,17,18,19)