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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22ClFN4O2S/c1-4-5-6-10-25-15-16(23(2)19(27)24(3)17(15)26)22-18(25)28-11-12-13(20)8-7-9-14(12)21/h7-9H,4-6,10-11H2,1-3H3