For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl]thio]-
SpectraBase Compound ID 1rsv20etic8
InChI InChI=1S/C22H25N7O3S/c1-25-17-18(26(2)22(32)27(3)19(17)31)24-20(25)33-21-23-14-9-5-6-10-15(14)29(21)13-16(30)28-11-7-4-8-12-28/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKey XUMRWILQHXFYPK-UHFFFAOYSA-N
Mol Weight 467.55 g/mol
Molecular Formula C22H25N7O3S
Exact Mass 467.173959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BXybO6MmeOJ
Name 1,3,7-trimethyl-8-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N7O3S
InChI InChI=1S/C22H25N7O3S/c1-25-17-18(26(2)22(32)27(3)19(17)31)24-20(25)33-21-23-14-9-5-6-10-15(14)29(21)13-16(30)28-11-7-4-8-12-28/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKey XUMRWILQHXFYPK-UHFFFAOYSA-N
Molecular Weight 467.548 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](CC(N2CCCCC2)=O)c2ccccc2n1
SPLASH splash10-0002-9610000000-9a0053a0b39d37a6b09a
Synonyms 1,3,7-Trimethyl-8-[1-(2-oxo-2-piperidin-1-yl-ethyl)-1H-benzoimidazol-2-ylsulfanyl]-3,7-dihydro-purine-2,6-dione 1,3,7-trimethyl-8-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylpurine-2,6-dione 1,3,7-trimethyl-8-[1-[2-oxo-2-(1-piperidyl)ethyl]benzimidazol-2-yl]sulfanyl-purine-2,6-dione 1,3,7-trimethyl-8-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-2-benzimidazolyl]thio]purine-2,6-dione 8-[[1-(2-keto-2-piperidino-ethyl)benzimidazol-2-yl]thio]-1,3,7-trimethyl-xanthine
Wiley ID 1453751