8-bromanyl-3-methyl-7-[2-oxidanyl-3-[2,4,6-tris(bromanyl)phenoxy]propyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-oxidanyl-3-[2,4,6-tris(bromanyl)phenoxy]propyl]purine-2,6-dione Openeye Name: 8-bromo-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-xanthine Formula: C15H12Br4N4O4 MolecularWeight: 631.89618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=C(C=C(C=C3Br)Br)Br)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=C(C=C(C=C3Br)Br)Br)O

InChI

InChI=1S/C15H12Br4N4O4/c1-22-12-10(13(25)21-15(22)26)23(14(19)20-12)4-7(24)5-27-11-8(17)2-6(16)3-9(11)18/h2-3,7,24H,4-5H2,1H3,(H,21,25,26)