3-methyl-8-(naphthalen-1-ylmethylamino)-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(naphthalen-1-ylmethylamino)-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(1-naphthylmethylamino)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(1-naphthalenylmethylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(naphthalen-1-ylmethylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(1-naphthylmethylamino)xanthine Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC4=CC=CC=C43)CC(COC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC4=CC=CC=C43)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C26H25N5O4/c1-30-23-22(24(33)29-26(30)34)31(15-19(32)16-35-20-11-3-2-4-12-20)25(28-23)27-14-18-10-7-9-17-8-5-6-13-21(17)18/h2-13,19,32H,14-16H2,1H3,(H,27,28)(H,29,33,34)