8-bromanyl-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C15H15BrN4O4 MolecularWeight: 395.208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C15H15BrN4O4/c1-19-12-11(13(22)18-15(19)23)20(14(16)17-12)7-9(21)8-24-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,18,22,23)