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

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(4-pyridylmethylamino)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(pyridin-4-ylmethylamino)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(4-pyridylmethylamino)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4/c1-17(2,3)27-13(24)10-22(4)16-14(23(25)26)15(20-11-21-16)19-9-12-5-7-18-8-6-12/h5-8,11H,9-10H2,1-4H3,(H,19,20,21)