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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]isoxazole-5-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-isoxazolecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isoxazole-5-carboxamide Formula: C16H19N7O2S MolecularWeight: 373.43276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=NO3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=NO3)C(=N1)N4CCCC4

InChI

InChI=1S/C16H19N7O2S/c1-26-16-20-13(22-7-2-3-8-22)11-10-18-23(14(11)21-16)9-6-17-15(24)12-4-5-19-25-12/h4-5,10H,2-3,6-9H2,1H3,(H,17,24)