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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]ethanethioic S-acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]ethanethioic S-acid CAS Name: 2-[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]ethanethioic S-acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]ethanethioic S-acid Traditional Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thioacetic acid Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3OS/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-13(18-12)7-14(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)