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

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

Systemtic Name:tert-butyl 2-[methyl-[5-nitro-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]ethanoate
Openeye Name:tert-butyl 2-[methyl-[5-nitro-6-[2-(2-pyridyl)ethylamino]pyrimidin-4-yl]amino]acetate
CAS Name:2-[methyl-[5-nitro-6-[2-(2-pyridinyl)ethylamino]-4-pyrimidinyl]amino]acetic acid tert-butyl ester
IUPAC Name:tert-butyl 2-[methyl-[5-nitro-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetate
Traditional Name:2-[methyl-[5-nitro-6-[2-(2-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=CC=CC=N2


Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=N2


InChI

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


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