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acetamide, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-

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

acetamide, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 2lFpJq3ft3K
InChI InChI=1S/C19H18F3N5O4S/c1-4-9-27-14-15(25(2)18(30)26(3)16(14)29)24-17(27)32-10-13(28)23-11-5-7-12(8-6-11)31-19(20,21)22/h4-8H,1,9-10H2,2-3H3,(H,23,28)
InChIKey ZOKCVWCDXMSNPD-UHFFFAOYSA-N
Mol Weight 469.44 g/mol
Molecular Formula C19H18F3N5O4S
Exact Mass 469.10316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfTRJ47zz9s
Name 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3N5O4S
InChI InChI=1S/C19H18F3N5O4S/c1-4-9-27-14-15(25(2)18(30)26(3)16(14)29)24-17(27)32-10-13(28)23-11-5-7-12(8-6-11)31-19(20,21)22/h4-8H,1,9-10H2,2-3H3,(H,23,28)
InChIKey ZOKCVWCDXMSNPD-UHFFFAOYSA-N
Molecular Weight 469.439 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CC=C)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-014m-9560100000-3f2721cc323a3a2e3833
Synonyms 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Wiley ID 1442629