tert-butyl 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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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=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C20H25N5O5/c1-20(2,3)30-16(26)11-24(4)19-17(25(27)28)18(22-12-23-19)21-10-13-5-6-15-14(9-13)7-8-29-15/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,21,22,23)