8-bromanyl-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]xanthine Formula: C16H14BrN5O6 MolecularWeight: 452.21626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Br

InChI

InChI=1S/C16H14BrN5O6/c1-19-13-11(14(23)20(2)16(19)24)18-15(17)21(13)5-8-3-10(22(25)26)4-9-6-27-7-28-12(8)9/h3-4H,5-7H2,1-2H3