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

Systemtic Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C21H16BrClN4O3 MolecularWeight: 487.73374

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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)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrClN4O3/c1-25-18-17(19(29)26(2)21(25)30)27(20(23)24-18)11-16(28)14-5-3-12(4-6-14)13-7-9-15(22)10-8-13/h3-10H,11H2,1-2H3