9-[[2,6-bis(chloranyl)phenyl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[2,6-bis(chloranyl)phenyl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(2,6-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(2,6-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-(2,6-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C14H11BrCl2N4O2 MolecularWeight: 418.07274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC=C3Cl)Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC=C3Cl)Cl)Br

InChI

InChI=1S/C14H11BrCl2N4O2/c1-19-11-10(12(22)20(2)14(19)23)18-13(15)21(11)6-7-8(16)4-3-5-9(7)17/h3-5H,6H2,1-2H3