1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-methyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-methyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-1-(4-fluorophenyl)-3-(2-furylmethyl)-7-methyl-purine-2,6-dione CAS Name: 1-(4-fluorophenyl)-3-(2-furanylmethyl)-7-methyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-methylpurine-2,6-dione Traditional Name: 8-benzyl-1-(4-fluorophenyl)-3-(2-furfuryl)-7-methyl-xanthine Formula: C24H19FN4O3 MolecularWeight: 430.431063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C24H19FN4O3/c1-27-20(14-16-6-3-2-4-7-16)26-22-21(27)23(30)29(18-11-9-17(25)10-12-18)24(31)28(22)15-19-8-5-13-32-19/h2-13H,14-15H2,1H3