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1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3-

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

1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3-
SpectraBase Compound ID 3ibhrR3Wi35
InChI InChI=1S/C27H35N9O2S/c1-27(2,3)18-11-9-17(10-12-18)15-36-20-21(33(4)26(38)34(5)22(20)37)31-25(36)39-16-19-29-23(28)32-24(30-19)35-13-7-6-8-14-35/h9-12H,6-8,13-16H2,1-5H3,(H2,28,29,30,32)
InChIKey AUUDMGKJGXITBW-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C27H35N9O2S
Exact Mass 549.263443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bjvn2hO84Bk
Name 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(4-tert-butylphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Alternate Name(s) 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-7-(4-tert-butylbenzyl)-1,3-dimethyl-xanthine 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-7-[(4-tert-butylphenyl)methyl]-1,3-dimethylpurine-2,6-dione 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione
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Formula C27H35N9O2S
InChI InChI=1S/C27H35N9O2S/c1-27(2,3)18-11-9-17(10-12-18)15-36-20-21(33(4)26(38)34(5)22(20)37)31-25(36)39-16-19-29-23(28)32-24(30-19)35-13-7-6-8-14-35/h9-12H,6-8,13-16H2,1-5H3,(H2,28,29,30,32)
InChIKey AUUDMGKJGXITBW-UHFFFAOYSA-N
Molecular Weight 549.698 g/mol
SMILES Nc1nc(nc(n1)CSc1nc2c([n]1Cc1ccc(C(C)(C)C)cc1)C(=O)N(C(N2C)=O)C)N1CCCCC1
SPLASH splash10-00l5-4900010000-9c220a2c119a8c2fbac1
Wiley ID 1464232