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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-ethylsulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-ethylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-ethylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(ethylthio)-1,3-dimethyl-xanthine Formula: C16H16ClFN4O2S MolecularWeight: 382.840243

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H16ClFN4O2S/c1-4-25-15-19-13-12(14(23)21(3)16(24)20(13)2)22(15)8-9-10(17)6-5-7-11(9)18/h5-7H,4,8H2,1-3H3