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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H18ClFN4O2S/c1-21-10-20-15-14(21)16(24)23(17(25)22(15)2)7-4-8-26-9-11-12(18)5-3-6-13(11)19/h3,5-6,10H,4,7-9H2,1-2H3