[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1(CCCCC1)C#N)C2=NC=CC=N2

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1(CCCCC1)C#N)C2=NC=CC=N2

InChI

InChI=1S/C16H21N5O3/c1-21(15-18-8-5-9-19-15)10-14(23)24-11-13(22)20-16(12-17)6-3-2-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,20,22)