3-[4-chloranyl-2-methyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[4-chloranyl-2-methyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[4-chloro-2-methyl-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[4-chloro-2-methyl-6-(2,4,6-trimethylanilino)-5-pyrimidinyl]-2-methylpropanoic acid IUPAC Name: 3-[4-chloro-2-methyl-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]-2-methylpropanoic acid Traditional Name: 3-(4-chloro-6-mesidino-2-methyl-pyrimidin-5-yl)-2-methyl-propionic acid Formula: C18H22ClN3O2 MolecularWeight: 347.83918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=C(C(=NC(=N2)C)Cl)CC(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=C(C(=NC(=N2)C)Cl)CC(C)C(=O)O)C

InChI

InChI=1S/C18H22ClN3O2/c1-9-6-10(2)15(11(3)7-9)22-17-14(8-12(4)18(23)24)16(19)20-13(5)21-17/h6-7,12H,8H2,1-5H3,(H,23,24)(H,20,21,22)