2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-propan-2-yl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-propan-2-yl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-propan-2-yl-2-purinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-propan-2-ylpurin-2-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-isopropyl-6-(piperonylamino)purin-2-yl]amino]ethanol Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N(CCO)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N(CCO)CCO

InChI

InChI=1S/C20H26N6O4/c1-13(2)26-11-22-17-18(21-10-14-3-4-15-16(9-14)30-12-29-15)23-20(24-19(17)26)25(5-7-27)6-8-28/h3-4,9,11,13,27-28H,5-8,10,12H2,1-2H3,(H,21,23,24)