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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

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