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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-9-12(14(21-3)17-10(2)16-9)13(20)15-8-6-4-5-7-11(18)19/h4-8H2,1-3H3,(H,15,20)(H,18,19)