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

Systemtic Name: 8-(4-bromanylphenoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(4-bromophenoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(4-bromophenoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(4-bromophenoxy)-1-(3-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C20H16BrClN4O3 MolecularWeight: 475.72304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN4O3/c1-24-16-17(23-19(24)29-15-8-6-13(21)7-9-15)25(2)20(28)26(18(16)27)11-12-4-3-5-14(22)10-12/h3-10H,11H2,1-2H3