8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-1,3-dimethyl-xanthine Formula: C22H22FN5O2 MolecularWeight: 407.440783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C22H22FN5O2/c1-26-19-18(20(29)27(2)22(26)30)28(14-16-6-4-3-5-7-16)21(25-19)24-13-12-15-8-10-17(23)11-9-15/h3-11H,12-14H2,1-2H3,(H,24,25)