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

Systemtic Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-cyclohexyl-acetamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClN5OS/c20-15-8-4-5-9-16(15)25-18-14(10-23-25)19(22-12-21-18)27-11-17(26)24-13-6-2-1-3-7-13/h4-5,8-10,12-13H,1-3,6-7,11H2,(H,24,26)