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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-sulfanylideneimidazolidin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-thioxoimidazolidin-1-yl)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-sulfanylidene-1-imidazolidinyl)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-sulfanylideneimidazolidin-1-yl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(2-thioxoimidazolidin-1-yl)xanthine Formula: C17H17FN6O2S MolecularWeight: 388.419283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC3=S)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC3=S)CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H17FN6O2S/c1-21-13-12(14(25)22(2)17(21)26)24(9-10-3-5-11(18)6-4-10)15(20-13)23-8-7-19-16(23)27/h3-6H,7-9H2,1-2H3,(H,19,27)