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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[(2-keto-1-methyl-propyl)thio]-1,3-dimethyl-xanthine Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)C)SC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19FN4O3S/c1-10(24)11(2)27-17-20-15-14(16(25)22(4)18(26)21(15)3)23(17)9-12-5-7-13(19)8-6-12/h5-8,11H,9H2,1-4H3