8-(4-bromanylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-bromanylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(4-bromophenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(4-bromophenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(4-bromophenoxy)-3,7-dimethyl-xanthine Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O3/c1-23-16-17(22-19(23)28-15-10-8-14(21)9-11-15)24(2)20(27)25(18(16)26)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3