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

Systemtic Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-phenethyl-acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5OS/c22-16-6-8-17(9-7-16)27-20-18(12-26-27)21(25-14-24-20)29-13-19(28)23-11-10-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H,23,28)