7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-[[(2R)-2-hydroxypropyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[[(2R)-2-hydroxypropyl]thio]-1,3-dimethyl-xanthine Formula: C17H19FN4O3S MolecularWeight: 378.421163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

C[C@H](CSC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H19FN4O3S/c1-10(23)9-26-16-19-14-13(15(24)21(3)17(25)20(14)2)22(16)8-11-4-6-12(18)7-5-11/h4-7,10,23H,8-9H2,1-3H3/t10-/m1/s1