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

Systemtic Name: tert-butyl 2-[[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(1-imidazolyl)phenoxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-imidazol-1-ylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-20(2,3)31-16(27)11-24(4)18-17(26(28)29)19(23-12-22-18)30-15-7-5-14(6-8-15)25-10-9-21-13-25/h5-10,12-13H,11H2,1-4H3