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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-coumarilamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3S/c1-5-32-22-26-19(25-13(2)3)15-12-24-28(20(15)27-22)10-9-23-21(29)17-11-14-7-6-8-16(30-4)18(14)31-17/h6-8,11-13H,5,9-10H2,1-4H3,(H,23,29)(H,25,26,27)