3-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]butanoic acid Openeye Name: 3-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 3-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]butanoic acid Traditional Name: 3-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]butyric acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-6(5-9(16)17)13-11(18)10-7(2)14-8(3)15-12(10)19-4/h6H,5H2,1-4H3,(H,13,18)(H,16,17)