N'-[6-azanyl-1-[2-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromanyl-furan-2-carbohydrazide

Systemtic Name: N'-[6-azanyl-1-[2-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromanyl-furan-2-carbohydrazide Openeye Name: N'-[6-amino-1-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromo-furan-2-carbohydrazide CAS Name: N'-[6-amino-1-[2-[4-(2,4-difluorophenyl)-1-piperazinyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinyl]-5-bromo-2-furancarbohydrazide IUPAC Name: N'-[6-amino-1-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromofuran-2-carbohydrazide Traditional Name: N'-[6-amino-1-[2-[4-(2,4-difluorophenyl)piperazino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromo-2-furohydrazide Formula: C22H22BrF2N9O2 MolecularWeight: 562.369986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C3=C(C=N2)C(=NC(=N3)N)NNC(=O)C4=CC=C(O4)Br)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1CCN2C3=C(C=N2)C(=NC(=N3)N)NNC(=O)C4=CC=C(O4)Br)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C22H22BrF2N9O2/c23-18-4-3-17(36-18)21(35)31-30-19-14-12-27-34(20(14)29-22(26)28-19)10-7-32-5-8-33(9-6-32)16-2-1-13(24)11-15(16)25/h1-4,11-12H,5-10H2,(H,31,35)(H3,26,28,29,30)