8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(piperonylamino)xanthine Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H23N5O4/c1-29-23-22(24(32)30(2)26(29)33)31(14-18-8-5-7-17-6-3-4-9-19(17)18)25(28-23)27-13-16-10-11-20-21(12-16)35-15-34-20/h3-12H,13-15H2,1-2H3,(H,27,28)