2-[4-chloranyl-5-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-5-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-5-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-5-(2,3-dimethylanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-5-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-5-(2,3-dimethylanilino)pyrimidin-2-yl]thio]acetic acid Formula: C14H14ClN3O2S MolecularWeight: 323.79786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CN=C(N=C2Cl)SCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CN=C(N=C2Cl)SCC(=O)O)C

InChI

InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)17-11-6-16-14(18-13(11)15)21-7-12(19)20/h3-6,17H,7H2,1-2H3,(H,19,20)