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

Systemtic Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N,N-diphenyl-acetamide Formula: C25H18ClN5OS MolecularWeight: 471.96132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5Cl

InChI

InChI=1S/C25H18ClN5OS/c26-21-13-7-8-14-22(21)31-24-20(15-29-31)25(28-17-27-24)33-16-23(32)30(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,17H,16H2