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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-(propylthio)xanthine Formula: C17H19FN4O2S MolecularWeight: 362.421763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H19FN4O2S/c1-4-9-25-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)10-11-7-5-6-8-12(11)18/h5-8H,4,9-10H2,1-3H3