[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NCC#C)C1=NC=CC=N1

Isomeric SMILES

CN(CC(=O)OCC(=O)NCC#C)C1=NC=CC=N1

InChI

InChI=1S/C12H14N4O3/c1-3-5-13-10(17)9-19-11(18)8-16(2)12-14-6-4-7-15-12/h1,4,6-7H,5,8-9H2,2H3,(H,13,17)