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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C22H23N7O2S MolecularWeight: 449.52872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O2S/c1-32-22-25-19(28-10-5-6-11-28)16-14-24-29(20(16)26-22)12-9-23-21(30)17-13-18(31-27-17)15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,23,30)