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

Systemtic Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-3-methyl-butyric acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-6(2)10(13(18)19)16-11(17)9-7(3)14-8(4)15-12(9)20-5/h6,10H,1-5H3,(H,16,17)(H,18,19)