N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C25H25N7OS MolecularWeight: 471.5773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H25N7OS/c1-16(2)23-30-24-18(14-27-32(24)17-8-4-3-5-9-17)25(31-23)34-15-22(33)26-13-12-21-28-19-10-6-7-11-20(19)29-21/h3-11,14,16H,12-13,15H2,1-2H3,(H,26,33)(H,28,29)