N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxybenzamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C25H26N6O2S/c1-34-25-28-22(30-14-7-8-15-30)20-17-27-31(23(20)29-25)16-13-26-24(32)19-11-5-6-12-21(19)33-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,26,32)