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8-(9-acridinylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR, and 1 MS (GC)

8-(9-acridinylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Fg0UYJvoXDp
InChI InChI=1S/C21H17N5O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17-12-8-4-6-10-14(12)22-15-11-7-5-9-13(15)17/h4-11H,1-3H3
InChIKey FTNCBSDIFAZMFY-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C21H17N5O2S
Exact Mass 403.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cc6GeCO8XDt
Name 8-(9-acridinylthio)-1,3,7-trimethylpurine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O2S
InChI InChI=1S/C21H17N5O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17-12-8-4-6-10-14(12)22-15-11-7-5-9-13(15)17/h4-11H,1-3H3
InChIKey FTNCBSDIFAZMFY-UHFFFAOYSA-N
Molecular Weight 403.460 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1c2c(cccc2)nc2c1cccc2
SPLASH splash10-0gc4-6930000000-705136e80bd72cffa25d
Synonyms 8-(acridin-9-ylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione 8-(acridin-9-ylthio)-1,3,7-trimethyl-xanthine 8-Acridin-9-ylsulfanyl-1,3,7-trimethyl-purine-2,6-dione
Wiley ID 1451755