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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)-methyl-amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(N,2,3-trimethylanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]thio]acetic acid Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C)C2=CC(=NC(=N2)SCC(=O)O)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C)C2=CC(=NC(=N2)SCC(=O)O)Cl)C

InChI

InChI=1S/C15H16ClN3O2S/c1-9-5-4-6-11(10(9)2)19(3)13-7-12(16)17-15(18-13)22-8-14(20)21/h4-7H,8H2,1-3H3,(H,20,21)