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

Systemtic Name: 7-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C16H14BrClN4O4 MolecularWeight: 441.66376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN4O4/c1-20-13-12(14(24)21(2)16(20)25)22(15(18)19-13)7-10(23)8-4-5-11(26-3)9(17)6-8/h4-6H,7H2,1-3H3