2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-purinyl]ethanol IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol Traditional Name: 2-[2-(4-piperonylpiperazino)purin-9-yl]ethanol Formula: C19H22N6O3 MolecularWeight: 382.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CCO

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CCO

InChI

InChI=1S/C19H22N6O3/c26-8-7-25-12-21-15-10-20-19(22-18(15)25)24-5-3-23(4-6-24)11-14-1-2-16-17(9-14)28-13-27-16/h1-2,9-10,12,26H,3-8,11,13H2