8-[1,2-bis(bromanyl)-2-phenyl-ethyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[1,2-bis(bromanyl)-2-phenyl-ethyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(1,2-dibromo-2-phenyl-ethyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1,2-dibromo-2-phenylethyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1,2-dibromo-2-phenylethyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(1,2-dibromo-2-phenyl-ethyl)-1,3,7-trimethyl-xanthine Formula: C16H16Br2N4O2 MolecularWeight: 456.13184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C(C3=CC=CC=C3)Br)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C(C3=CC=CC=C3)Br)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H16Br2N4O2/c1-20-12-14(21(2)16(24)22(3)15(12)23)19-13(20)11(18)10(17)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3