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

Systemtic Name: 8-(4-bromanylphenoxy)-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-bromophenoxy)-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-bromophenoxy)-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-bromophenoxy)-7-heptyl-1,3-dimethyl-xanthine Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25BrN4O3/c1-4-5-6-7-8-13-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)28-15-11-9-14(21)10-12-15/h9-12H,4-8,13H2,1-3H3