3-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-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=CC=C3)CC(COC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=CC5=CC=CC=C54)O

InChI

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