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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-1,3-dimethyl-7-propyl-xanthine Formula: C17H18ClFN4O2S MolecularWeight: 396.866823

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H18ClFN4O2S/c1-4-8-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)26-9-10-11(18)6-5-7-12(10)19/h5-7H,4,8-9H2,1-3H3