8-bromanyl-7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H17BrN4O5 MolecularWeight: 437.24468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H17BrN4O5/c1-20-14-13(15(24)21(2)17(20)25)22(16(18)19-14)8-10(23)9-5-6-11(26-3)12(7-9)27-4/h5-7H,8H2,1-4H3