2-[6-chloranyl-2-[(2,3-dimethylphenyl)amino]pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-chloranyl-2-[(2,3-dimethylphenyl)amino]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-chloro-2-(2,3-dimethylanilino)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-chloro-2-(2,3-dimethylanilino)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-chloro-2-(2,3-dimethylanilino)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-chloro-2-(2,3-dimethylanilino)pyrimidin-4-yl]thio]acetic acid Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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