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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-3-carboxamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Formula: C24H23N7O MolecularWeight: 425.48572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H23N7O/c32-24(19-14-27-21-9-5-4-8-18(19)21)26-12-13-31-23-20(15-30-31)22(28-16-29-23)25-11-10-17-6-2-1-3-7-17/h1-9,14-16,27H,10-13H2,(H,26,32)(H,25,28,29)