(2S)-4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-(2-pyrimidinylamino)butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(2-pyrimidylamino)butyrate Formula: C9H12N3O2S- MolecularWeight: 226.27548

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC=CC=N1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC1=NC=CC=N1

InChI

InChI=1S/C9H13N3O2S/c1-15-6-3-7(8(13)14)12-9-10-4-2-5-11-9/h2,4-5,7H,3,6H2,1H3,(H,13,14)(H,10,11,12)/p-1/t7-/m0/s1