N-(2-methylcyclohexyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methylcyclohexyl)-2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methylcyclohexyl)-2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methylcyclohexyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-methylcyclohexyl)-2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4C

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4C

InChI

InChI=1S/C21H25N5OS/c1-14-7-3-5-9-17(14)25-19(27)12-28-21-16-11-24-26(20(16)22-13-23-21)18-10-6-4-8-15(18)2/h4,6,8,10-11,13-14,17H,3,5,7,9,12H2,1-2H3,(H,25,27)