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

*Links on SpectraBase are not permalinks.
1,3,7-trimethyl-8-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]purine-2,6-dione
SpectraBase Compound ID 3BKcJfF4mVa
InChI InChI=1S/C16H20N8O4S/c1-20-11-12(21(2)16(27)22(3)13(11)26)19-15(20)29-14-17-9-18-24(14)8-10(25)23-4-6-28-7-5-23/h9H,4-8H2,1-3H3
InChIKey BZQLKTWWPSPVEU-UHFFFAOYSA-N
Mol Weight 420.45 g/mol
Molecular Formula C16H20N8O4S
Exact Mass 420.132822 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 K0UtJ0bkQK3
Name 1,3,7-trimethyl-8-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N8O4S
InChI InChI=1S/C16H20N8O4S/c1-20-11-12(21(2)16(27)22(3)13(11)26)19-15(20)29-14-17-9-18-24(14)8-10(25)23-4-6-28-7-5-23/h9H,4-8H2,1-3H3
InChIKey BZQLKTWWPSPVEU-UHFFFAOYSA-N
Molecular Weight 420.448 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](CC(N2CCOCC2)=O)ncn1
SPLASH splash10-00tg-9320100000-1ba84bd3cae872e5109a
Synonyms 1,3,7-trimethyl-8-[[2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]purine-2,6-dione 1,3,7-trimethyl-8-[[2-(2-morpholino-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]purine-2,6-dione 1,3,7-trimethyl-8-[[2-[2-(4-morpholinyl)-2-oxoethyl]-1,2,4-triazol-3-yl]thio]purine-2,6-dione 8-[[2-(2-keto-2-morpholino-ethyl)-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-xanthine
Wiley ID 1443790