2-[[4-[(3-bromophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

Systemtic Name: 2-[[4-[(3-bromophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Openeye Name: 2-[[4-(3-bromoanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol CAS Name: 2-[[4-(3-bromoanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol IUPAC Name: 2-[[4-(3-bromoanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Traditional Name: 2-[[4-(3-bromoanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Formula: C13H13BrN6O MolecularWeight: 349.18592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=NN3)NCCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=NN3)NCCO

InChI

InChI=1S/C13H13BrN6O/c14-8-2-1-3-9(6-8)17-11-10-7-16-20-12(10)19-13(18-11)15-4-5-21/h1-3,6-7,21H,4-5H2,(H3,15,16,17,18,19,20)