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

Systemtic Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(3-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-fluorobenzyl)-8-(2-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C17H20FN5O3 MolecularWeight: 361.370803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CNC1=NC2=C(N1CC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H20FN5O3/c1-10(24)8-19-16-20-14-13(15(25)22(3)17(26)21(14)2)23(16)9-11-5-4-6-12(18)7-11/h4-7,10,24H,8-9H2,1-3H3,(H,19,20)