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

Systemtic Name: 7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-8-bromanyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C15H13BrCl2N4O4 MolecularWeight: 464.09812

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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=C3)Cl)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrCl2N4O4/c1-21-12-11(13(24)20-15(21)25)22(14(16)19-12)5-8(23)6-26-10-3-2-7(17)4-9(10)18/h2-4,8,23H,5-6H2,1H3,(H,20,24,25)