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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-sulfanylethyl)acetamide CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-N-(2-mercaptoethyl)acetamide IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-sulfanylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-N-(2-mercaptoethyl)acetamide Formula: C16H19ClN4OS2 MolecularWeight: 382.93126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4OS2/c1-10-4-3-5-12(11(10)2)19-14-8-13(17)20-16(21-14)24-9-15(22)18-6-7-23/h3-5,8,23H,6-7,9H2,1-2H3,(H,18,22)(H,19,20,21)