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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NCCC#N)C1=NC=CC=N1

Isomeric SMILES

CN(CC(=O)OCC(=O)NCCC#N)C1=NC=CC=N1

InChI

InChI=1S/C12H15N5O3/c1-17(12-15-6-3-7-16-12)8-11(19)20-9-10(18)14-5-2-4-13/h3,6-7H,2,5,8-9H2,1H3,(H,14,18)