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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-oxidanylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(3-hydroxypropyl)acetamide CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-N-(3-hydroxypropyl)acetamide IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(3-hydroxypropyl)acetamide Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-N-(3-hydroxypropyl)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)NCCCO)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O2S/c1-11-5-3-6-13(12(11)2)20-15-9-14(18)21-17(22-15)25-10-16(24)19-7-4-8-23/h3,5-6,9,23H,4,7-8,10H2,1-2H3,(H,19,24)(H,20,21,22)