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2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
SpectraBase Compound ID LW1rMAyTQx9
InChI InChI=1S/C26H28FN5O3S/c1-26(2,3)17-12-10-16(11-13-17)14-32-21-22(30(4)25(35)31(5)23(21)34)29-24(32)36-15-20(33)28-19-9-7-6-8-18(19)27/h6-13H,14-15H2,1-5H3,(H,28,33)
InChIKey HRXSEJQARYDVJT-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C26H28FN5O3S
Exact Mass 509.189689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4gSoQ6hum5
Name 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
Alternate Name(s) 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2-fluorophenyl)acetamide 2-[[7-(4-tert-butylbenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(2-fluorophenyl)acetamide 2-[[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2-fluorophenyl)acetamide
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Formula C26H28FN5O3S
InChI InChI=1S/C26H28FN5O3S/c1-26(2,3)17-12-10-16(11-13-17)14-32-21-22(30(4)25(35)31(5)23(21)34)29-24(32)36-15-20(33)28-19-9-7-6-8-18(19)27/h6-13H,14-15H2,1-5H3,(H,28,33)
InChIKey HRXSEJQARYDVJT-UHFFFAOYSA-N
Molecular Weight 509.600 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1ccc(cc1)C(C)(C)C)C(=O)N(C)C(=O)N2C)=O)c1c(cccc1)F
SPLASH splash10-0002-3900000000-3a449c6378c8dc82cbb0
Wiley ID 1445586