N-(1,3-benzodioxol-5-ylmethyl)-3-(6-phenylmethoxypurin-9-yl)propan-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-phenylmethoxypurin-9-yl)propan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-benzyloxypurin-9-yl)propan-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-phenylmethoxy-9-purinyl)-1-propanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-phenylmethoxypurin-9-yl)propan-1-amine Traditional Name: 3-(6-benzoxypurin-9-yl)propyl-piperonyl-amine Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCCN3C=NC4=C3N=CN=C4OCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCCN3C=NC4=C3N=CN=C4OCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3/c1-2-5-17(6-3-1)13-29-23-21-22(25-14-26-23)28(15-27-21)10-4-9-24-12-18-7-8-19-20(11-18)31-16-30-19/h1-3,5-8,11,14-15,24H,4,9-10,12-13,16H2