tert-butyl 2-[methyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CN=CC=C2

InChI

InChI=1S/C18H24N6O4/c1-18(2,3)28-14(25)11-23(4)17-15(24(26)27)16(21-12-22-17)20-9-7-13-6-5-8-19-10-13/h5-6,8,10,12H,7,9,11H2,1-4H3,(H,20,21,22)