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

Systemtic Name: 8-bromanyl-3-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-bromo-7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-xanthine Formula: C19H17BrN4O4 MolecularWeight: 445.26668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C19H17BrN4O4/c1-23-16-15(17(26)22-19(23)27)24(18(20)21-16)9-12(25)10-28-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,25H,9-10H2,1H3,(H,22,26,27)