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

Systemtic Name: 4-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]butanoic acid Openeye Name: 4-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 4-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]butanoic acid Traditional Name: 4-[[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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-7-10(12(19-3)15-8(2)14-7)11(18)13-6-4-5-9(16)17/h4-6H2,1-3H3,(H,13,18)(H,16,17)