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

Systemtic Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-3,3-dimethyl-butyric acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-7-9(12(21-6)16-8(2)15-7)11(18)17-10(13(19)20)14(3,4)5/h10H,1-6H3,(H,17,18)(H,19,20)