8-(2-bromanylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-bromanylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-bromophenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-bromophenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-bromophenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-bromophenoxy)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C20H15BrCl2N4O3 MolecularWeight: 510.1681

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Br)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Br)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15BrCl2N4O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-7-8-13(22)14(23)9-11)19(24-17)30-15-6-4-3-5-12(15)21/h3-9H,10H2,1-2H3