tert-butyl 2-[[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1-azetidinyl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(azetidin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(azetidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC2

InChI

InChI=1S/C14H21N5O4/c1-14(2,3)23-10(20)8-17(4)12-11(19(21)22)13(16-9-15-12)18-6-5-7-18/h9H,5-8H2,1-4H3