3-[4-(1,3-benzodioxol-5-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-(piperonylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C20H14N6O2 MolecularWeight: 370.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=CC(=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=CC(=C5)C#N

InChI

InChI=1S/C20H14N6O2/c21-8-13-2-1-3-15(6-13)26-20-16(10-25-26)19(23-11-24-20)22-9-14-4-5-17-18(7-14)28-12-27-17/h1-7,10-11H,9,12H2,(H,22,23,24)