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

Systemtic Name: 8-bromanyl-3-methyl-7-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-xanthine Formula: C15H14BrN5O6 MolecularWeight: 440.20556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H14BrN5O6/c1-19-12-11(13(23)18-15(19)24)20(14(16)17-12)6-9(22)7-27-10-4-2-8(3-5-10)21(25)26/h2-5,9,22H,6-7H2,1H3,(H,18,23,24)