N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C22H24N8OS MolecularWeight: 448.54396

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C22H24N8OS/c1-32-22-25-19(29-10-5-6-11-29)16-14-24-30(20(16)26-22)12-9-23-21(31)18-13-17(27-28-18)15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,23,31)(H,27,28)