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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(2-chloro-6-fluoro-benzyl)thio]-3-methyl-xanthine Formula: C18H20ClFN4O2S MolecularWeight: 410.893403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H20ClFN4O2S/c1-3-4-5-9-24-14-15(23(2)17(26)22-16(14)25)21-18(24)27-10-11-12(19)7-6-8-13(11)20/h6-8H,3-5,9-10H2,1-2H3,(H,22,25,26)