8-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C24H23FN4O3S MolecularWeight: 466.527823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C24H23FN4O3S/c1-14-5-8-17(11-15(14)2)19(30)13-33-23-26-21-20(22(31)28(4)24(32)27(21)3)29(23)12-16-6-9-18(25)10-7-16/h5-11H,12-13H2,1-4H3