2-[6-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[6-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[6-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[6-(2-chlorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[6-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[6-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-cyclopropyl-acetamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC1NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H18ClN5OS/c23-18-9-5-4-8-16(18)20-26-21-17(12-24-28(21)15-6-2-1-3-7-15)22(27-20)30-13-19(29)25-14-10-11-14/h1-9,12,14H,10-11,13H2,(H,25,29)