7-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C15H12BrClN4O4 MolecularWeight: 427.63718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C15H12BrClN4O4/c1-19-12-11(13(22)20(2)15(19)23)21(14(17)18-12)5-7-3-9-10(4-8(7)16)25-6-24-9/h3-4H,5-6H2,1-2H3