8-(3-fluorophenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-fluorophenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-fluorophenyl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(3-fluorophenyl)-7-(2-oxolanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-fluorophenyl)-7-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3-fluorophenyl)-7-(tetrahydrofurfuryl)xanthine Formula: C23H21FN4O3 MolecularWeight: 420.436243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(N=C2C4=CC(=CC=C4)F)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C3=C(N=C2C4=CC(=CC=C4)F)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H21FN4O3/c24-17-9-4-8-16(12-17)20-25-21-19(27(20)14-18-10-5-11-31-18)22(29)26-23(30)28(21)13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,26,29,30)