8-(4-fluorophenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-fluorophenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-fluorophenyl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(4-fluorophenyl)-7-(2-oxolanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-fluorophenyl)-7-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(4-fluorophenyl)-7-(tetrahydrofurfuryl)xanthine Formula: C23H21FN4O3 MolecularWeight: 420.436243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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