N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-coumarilamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(O3)C(=CC=C4)OC)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(O3)C(=CC=C4)OC)C(=N1)NCC(C)C

InChI

InChI=1S/C23H28N6O3S/c1-5-33-23-27-20(25-12-14(2)3)16-13-26-29(21(16)28-23)10-9-24-22(30)18-11-15-7-6-8-17(31-4)19(15)32-18/h6-8,11,13-14H,5,9-10,12H2,1-4H3,(H,24,30)(H,25,27,28)