N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-iodophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H16IN5O2 MolecularWeight: 485.27781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=NC=NC4=C3C=NN4C5=CC(=CC=C5)I

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=NC=NC4=C3C=NN4C5=CC(=CC=C5)I

InChI

InChI=1S/C20H16IN5O2/c21-14-2-1-3-15(9-14)26-20-16(11-25-26)19(23-12-24-20)22-10-13-4-5-17-18(8-13)28-7-6-27-17/h1-5,8-9,11-12H,6-7,10H2,(H,22,23,24)