7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-pyrrolidino-xanthine Formula: C17H18FN5O2 MolecularWeight: 343.355523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H18FN5O2/c1-21-14-13(15(24)20-17(21)25)23(10-11-4-6-12(18)7-5-11)16(19-14)22-8-2-3-9-22/h4-7H,2-3,8-10H2,1H3,(H,20,24,25)