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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H17N5O2/c1-2-6-14(7-3-1)25-20-16(11-24-25)19(22-13-23-20)21-10-15-12-26-17-8-4-5-9-18(17)27-15/h1-9,11,13,15H,10,12H2,(H,21,22,23)