1-[2-(4-bromanylphenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(4-bromophenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-ethyl-xanthine Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O3/c1-2-25-15-24-20-19(25)21(28)26(12-13-30-18-10-8-17(23)9-11-18)22(29)27(20)14-16-6-4-3-5-7-16/h3-11,15H,2,12-14H2,1H3