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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

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