8-bromanyl-7-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-[2-(4-fluorophenyl)-2-oxo-ethyl]-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-fluorophenyl)-2-oxoethyl]-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-[2-(4-fluorophenyl)-2-oxoethyl]-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-[2-(4-fluorophenyl)-2-keto-ethyl]-1-propyl-xanthine Formula: C23H20BrFN4O3 MolecularWeight: 499.332303

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)F)Br)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)F)Br)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrFN4O3/c1-2-12-27-21(31)19-20(29(23(27)32)13-15-6-4-3-5-7-15)26-22(24)28(19)14-18(30)16-8-10-17(25)11-9-16/h3-11H,2,12-14H2,1H3