7-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzofuran-2-carboxamide CAS Name: 7-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 7-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]coumarilamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H17N5O3S/c1-29-17-7-3-5-14-9-18(30-19(14)17)21(28)26-15-6-2-4-13(8-15)11-31-22-16-10-25-27-20(16)23-12-24-22/h2-10,12H,11H2,1H3,(H,26,28)(H,23,24,25,27)