1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4-bromo-2-fluoro-phenyl)methyl]-7-cyclopentyl-purine-2,6-dione CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4-bromo-2-fluorophenyl)methyl]-7-cyclopentylpurine-2,6-dione Traditional Name: 3-benzyl-1-(4-bromo-2-fluoro-benzyl)-7-cyclopentyl-xanthine Formula: C24H22BrFN4O2 MolecularWeight: 497.359483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C24H22BrFN4O2/c25-18-11-10-17(20(26)12-18)14-29-23(31)21-22(27-15-30(21)19-8-4-5-9-19)28(24(29)32)13-16-6-2-1-3-7-16/h1-3,6-7,10-12,15,19H,4-5,8-9,13-14H2