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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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