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

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-7(2)6-10(14(19)20)17-12(18)11-8(3)15-9(4)16-13(11)21-5/h7,10H,6H2,1-5H3,(H,17,18)(H,19,20)