8-(4-bromanyl-2-fluoranyl-phenyl)-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-bromanyl-2-fluoranyl-phenyl)-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-bromo-2-fluoro-phenyl)-7-ethyl-purine-2,6-dione CAS Name: 8-(4-bromo-2-fluorophenyl)-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-bromo-2-fluorophenyl)-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-bromo-2-fluoro-phenyl)-7-ethyl-xanthine Formula: C20H16BrFN4O2 MolecularWeight: 443.269043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C3=C(C=C(C=C3)Br)F)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(N=C1C3=C(C=C(C=C3)Br)F)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H16BrFN4O2/c1-2-25-16-18(23-17(25)14-9-8-13(21)10-15(14)22)26(20(28)24-19(16)27)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,24,27,28)