N-(1,3-benzodioxol-5-yl)-1-phenyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(1-pyrrolidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(1-phenyl-6-pyrrolidino-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H20N6O2/c1-2-6-16(7-3-1)28-21-17(13-23-28)20(25-22(26-21)27-10-4-5-11-27)24-15-8-9-18-19(12-15)30-14-29-18/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,24,25,26)