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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC=C(O3)C4=CC=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC=C(O3)C4=CC=CC=C4)C(=N1)N5CCCC5

InChI

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