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

Systemtic Name: 8-(4-bromanyl-2-fluoranyl-phenyl)-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-bromo-2-fluoro-phenyl)-7-isopentyl-purine-2,6-dione CAS Name: 8-(4-bromo-2-fluorophenyl)-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-bromo-2-fluorophenyl)-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(4-bromo-2-fluoro-phenyl)-7-isoamyl-xanthine Formula: C23H22BrFN4O2 MolecularWeight: 485.348783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrFN4O2/c1-14(2)10-11-28-19-21(26-20(28)17-9-8-16(24)12-18(17)25)29(23(31)27-22(19)30)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,30,31)