N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(benzylamino)purin-9-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(benzylamino)purin-9-yl]acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-piperonyl-acetamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

InChI

InChI=1S/C22H20N6O3/c29-19(23-10-16-6-7-17-18(8-16)31-14-30-17)11-28-13-27-20-21(25-12-26-22(20)28)24-9-15-4-2-1-3-5-15/h1-8,12-13H,9-11,14H2,(H,23,29)(H,24,25,26)