2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-oxidanylpropan-2-yl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-oxidanylpropan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-hydroxy-1-methyl-ethyl)acetamide CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-N-(1-hydroxypropan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-N-(2-hydroxy-1-methyl-ethyl)acetamide Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O2S/c1-10-5-4-6-13(12(10)3)20-15-7-14(18)21-17(22-15)25-9-16(24)19-11(2)8-23/h4-7,11,23H,8-9H2,1-3H3,(H,19,24)(H,20,21,22)