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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-morpholin-4-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-morpholino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(4-morpholinyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-morpholino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H20N6O3 MolecularWeight: 416.4326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H20N6O3/c1-2-4-16(5-3-1)28-21-17(13-23-28)20(25-22(26-21)27-8-10-29-11-9-27)24-15-6-7-18-19(12-15)31-14-30-18/h1-7,12-13H,8-11,14H2,(H,24,25,26)