2-azanyl-3-(1,3-benzodioxol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one

Systemtic Name: 2-azanyl-3-(1,3-benzodioxol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-3-(1,3-benzodioxol-5-ylmethyl)-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-3-(1,3-benzodioxol-5-ylmethyl)-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-3-(1,3-benzodioxol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-7-(2-naphthylmethyl)-3-piperonyl-purin-6-one Formula: C24H19N5O3 MolecularWeight: 425.43936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C24H19N5O3/c25-24-27-23(30)21-22(29(24)12-16-6-8-19-20(10-16)32-14-31-19)26-13-28(21)11-15-5-7-17-3-1-2-4-18(17)9-15/h1-10,13H,11-12,14H2,(H2,25,27,30)