3-butyl-1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-7-(2-furfuryl)xanthine Formula: C22H23FN4O4 MolecularWeight: 426.440823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(C3=CC=C(C=C3)F)O)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(C3=CC=C(C=C3)F)O)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C22H23FN4O4/c1-2-3-10-26-20-19(25(14-24-20)12-17-5-4-11-31-17)21(29)27(22(26)30)13-18(28)15-6-8-16(23)9-7-15/h4-9,11,14,18,28H,2-3,10,12-13H2,1H3