N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H17N5O3/c1-26-16-5-3-15(4-6-16)25-19-13(12-22-25)11-21-20(24-19)23-14-2-7-17-18(10-14)28-9-8-27-17/h2-7,10-12H,8-9H2,1H3,(H,21,23,24)