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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=C(N=C(N=C1SC)C)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=C(N=C(N=C1SC)C)C

InChI

InChI=1S/C14H21N3O3S/c1-6-7-14(4,13(19)20)17-11(18)10-8(2)15-9(3)16-12(10)21-5/h6-7H2,1-5H3,(H,17,18)(H,19,20)