2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butanoyl]amino]acetic acid Formula: C13H19N3O5S MolecularWeight: 329.37206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)O)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C13H19N3O5S/c1-7(2)11(12(19)14-6-10(17)18)22-13-15-8(20-3)5-9(16-13)21-4/h5,7,11H,6H2,1-4H3,(H,14,19)(H,17,18)