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

Systemtic Name: tert-butyl 2-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C16H21N5O5 MolecularWeight: 363.36844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

InChI

InChI=1S/C16H21N5O5/c1-16(2,3)26-12(22)9-20(4)15-13(21(23)24)14(18-10-19-15)17-8-11-6-5-7-25-11/h5-7,10H,8-9H2,1-4H3,(H,17,18,19)