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

Systemtic Name: 8-butylsulfanyl-7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C18H20ClFN4O2S MolecularWeight: 410.893403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

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