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

Systemtic Name: 8-(3-bromanylphenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(3-bromophenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3-bromophenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3-bromophenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-bromophenoxy)-1,3,7-trimethyl-xanthine Formula: C14H13BrN4O3 MolecularWeight: 365.18202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H13BrN4O3/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-5-8(15)7-9/h4-7H,1-3H3