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

Systemtic Name: 5-bromanyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-furamide Formula: C20H19BrN6O2 MolecularWeight: 455.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C20H19BrN6O2/c21-17-7-6-16(29-17)20(28)23-10-11-27-19-15(12-26-27)18(24-13-25-19)22-9-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,28)(H,22,24,25)