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

Systemtic Name: 8-[(4-fluorophenyl)methylsulfanyl]-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(4-fluorophenyl)methylsulfanyl]-1-isopentyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(4-fluorophenyl)methylthio]-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(4-fluorophenyl)methylsulfanyl]-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(4-fluorobenzyl)thio]-1-isoamyl-3,7-dimethyl-xanthine Formula: C19H23FN4O2S MolecularWeight: 390.474923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=C(C=C3)F)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=C(C=C3)F)N(C1=O)C

InChI

InChI=1S/C19H23FN4O2S/c1-12(2)9-10-24-17(25)15-16(23(4)19(24)26)21-18(22(15)3)27-11-13-5-7-14(20)8-6-13/h5-8,12H,9-11H2,1-4H3