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1H-Purine-2,6-dione, 7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-(propylthio)-
SpectraBase Compound ID 6wEBYNoSdO6
InChI InChI=1S/C17H19FN4O2S/c1-4-9-25-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)10-11-7-5-6-8-12(11)18/h5-8H,4,9-10H2,1-3H3
InChIKey KLFUPOICCNBIHH-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C17H19FN4O2S
Exact Mass 362.121275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZuRVeydqEC
Name 1H-Purine-2,6-dione, 7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-(propylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19FN4O2S
InChI InChI=1S/C17H19FN4O2S/c1-4-9-25-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)10-11-7-5-6-8-12(11)18/h5-8H,4,9-10H2,1-3H3
InChIKey KLFUPOICCNBIHH-UHFFFAOYSA-N
Molecular Weight 362.423 g/mol
SMILES c1(ccccc1C[n]1c(SCCC)nc2N(C)C(N(C)C(c12)=O)=O)F
SPLASH splash10-0a4i-4932000000-fbc9310081a61e5ab1a4
Source of Spectrum IY-2-5016-8
Synonyms 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylthio)purine-2,6-dione 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-propylsulfanylpurine-2,6-dione 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione
Wiley ID 1658151