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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(2-chloro-6-fluoro-benzyl)thio]-3-methyl-xanthine Formula: C16H14ClFN4O2S MolecularWeight: 380.824363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC=C

InChI

InChI=1S/C16H14ClFN4O2S/c1-3-7-22-12-13(21(2)15(24)20-14(12)23)19-16(22)25-8-9-10(17)5-4-6-11(9)18/h3-6H,1,7-8H2,2H3,(H,20,23,24)