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

Systemtic Name: 8-(3-bromanylphenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-bromophenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-bromophenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-bromophenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-bromophenoxy)-7-ethyl-1,3-dimethyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H15BrN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-6-9(16)8-10/h5-8H,4H2,1-3H3