2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NCCO

InChI

InChI=1S/C20H18N6O3/c27-9-8-21-20-24-18(23-13-6-7-16-17(10-13)29-12-28-16)15-11-22-26(19(15)25-20)14-4-2-1-3-5-14/h1-7,10-11,27H,8-9,12H2,(H2,21,23,24,25)