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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[2-(4-bromophenoxy)ethyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-(2-methoxyethyl)xanthine Formula: C23H23BrN4O4 MolecularWeight: 499.35712

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)Br

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O4/c1-31-13-11-26-16-25-21-20(26)22(29)27(12-14-32-19-9-7-18(24)8-10-19)23(30)28(21)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3