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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-bromo-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-hydroxy-3-(2-naphthoxy)propyl]-1,3-dimethyl-xanthine Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(COC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C20H19BrN4O4/c1-23-17-16(18(27)24(2)20(23)28)25(19(21)22-17)10-14(26)11-29-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,26H,10-11H2,1-2H3