N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzofuran-2-carboxamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-benzofurancarboxamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]coumarilamide Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H22N6O2/c31-24(21-14-18-8-4-5-9-20(18)32-21)26-12-13-30-23-19(15-29-30)22(27-16-28-23)25-11-10-17-6-2-1-3-7-17/h1-9,14-16H,10-13H2,(H,26,31)(H,25,27,28)