4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoic acid CAS Name: 4-(methylthio)-2-(2-pyrimidinylamino)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(pyrimidin-2-ylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-pyrimidylamino)butyric acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC=CC=N1

Isomeric SMILES

CSCCC(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)