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

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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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=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

InChI

InChI=1S/C17H23N5O4S/c1-17(2,3)26-13(23)10-21(4)16-14(22(24)25)15(19-11-20-16)18-8-7-12-6-5-9-27-12/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,19,20)