methyl 3-methyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl 3-methyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)pentanoate Openeye Name: methyl 3-methyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]pentanoate Traditional Name: 3-methyl-2-[[2-(2-pyrimidylthio)acetyl]amino]valeric acid methyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=CC=N1

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=CC=N1

InChI

InChI=1S/C13H19N3O3S/c1-4-9(2)11(12(18)19-3)16-10(17)8-20-13-14-6-5-7-15-13/h5-7,9,11H,4,8H2,1-3H3,(H,16,17)