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

Systemtic Name: 8-chloranyl-7-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-iodophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(4-iodophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(4-iodophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(4-iodophenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H12ClIN4O3 MolecularWeight: 458.63825

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClIN4O3/c1-19-12-11(13(23)20(2)15(19)24)21(14(16)18-12)7-10(22)8-3-5-9(17)6-4-8/h3-6H,7H2,1-2H3