7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)thio]xanthine Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H21FN4O2S/c1-14-8-10-15(11-9-14)13-30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)12-16-6-4-5-7-17(16)23/h4-11H,12-13H2,1-3H3