N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-ethyl-8-pyridin-4-yl-purin-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-ethyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-ethyl-8-(4-pyridyl)purin-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-ethyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-ethyl-8-pyridin-4-ylpurin-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[9-ethyl-8-(4-pyridyl)purin-2-yl]amine Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

InChI

InChI=1S/C20H18N6O2/c1-2-26-18(13-5-7-21-8-6-13)24-15-12-22-20(25-19(15)26)23-14-3-4-16-17(11-14)28-10-9-27-16/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,25)