8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-7-isoamyl-1,3-dimethyl-xanthine Formula: C19H22ClFN4O2S MolecularWeight: 424.919983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22ClFN4O2S/c1-11(2)8-9-25-15-16(23(3)19(27)24(4)17(15)26)22-18(25)28-10-12-13(20)6-5-7-14(12)21/h5-7,11H,8-10H2,1-4H3