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

Systemtic Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-methylacetamide IUPAC Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-methylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-methyl-acetamide Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN5OS/c1-16-12(21)7-22-14-11-6-19-20(13(11)17-8-18-14)10-4-2-9(15)3-5-10/h2-6,8H,7H2,1H3,(H,16,21)