2-[4-chloranyl-6-[(2,4-dimethoxyphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,4-dimethoxyphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(2,4-dimethoxyanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(2,4-dimethoxyanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(2,4-dimethoxyanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(2,4-dimethoxyanilino)pyrimidin-2-yl]thio]acetic acid Formula: C14H14ClN3O4S MolecularWeight: 355.79666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)OC

InChI

InChI=1S/C14H14ClN3O4S/c1-21-8-3-4-9(10(5-8)22-2)16-12-6-11(15)17-14(18-12)23-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)