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

*Links on SpectraBase are not permalinks.

1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-

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

1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 93KpDSPss6J
InChI InChI=1S/C22H24FN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-5-3-4-6-14(13)23)21(27-17)36-12-15-25-19(24)28-20(26-15)31-7-9-35-10-8-31/h3-6H,7-12H2,1-2H3,(H2,24,25,26,28)
InChIKey MFGHCCGNHFAKHI-UHFFFAOYSA-N
Mol Weight 513.55 g/mol
Molecular Formula C22H24FN9O3S
Exact Mass 513.170685 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 B0t4NzDxUA4
Name 8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24FN9O3S
InChI InChI=1S/C22H24FN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-5-3-4-6-14(13)23)21(27-17)36-12-15-25-19(24)28-20(26-15)31-7-9-35-10-8-31/h3-6H,7-12H2,1-2H3,(H2,24,25,26,28)
InChIKey MFGHCCGNHFAKHI-UHFFFAOYSA-N
Molecular Weight 513.552 g/mol
SMILES Nc1nc(nc(n1)CSc1nc2c([n]1Cc1c(F)cccc1)C(=O)N(C(N2C)=O)C)N1CCOCC1
SPLASH splash10-0a4j-2900000000-53ffb8c6db2e30f8fbd0
Synonyms 8-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine 8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Wiley ID 1460698