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acetamide, 2-[(7-butyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-N-[4-(chlorodifluoromethoxy)phenyl]-
SpectraBase Compound ID 13WwQX0bU9R
InChI InChI=1S/C20H22ClF2N5O4S/c1-4-5-10-28-15-16(26(2)19(31)27(3)17(15)30)25-18(28)33-11-14(29)24-12-6-8-13(9-7-12)32-20(21,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,24,29)
InChIKey FVMZKTWAWBQYBD-UHFFFAOYSA-N
Mol Weight 501.94 g/mol
Molecular Formula C20H22ClF2N5O4S
Exact Mass 501.104909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXaAqrN9NEx
Name 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
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Formula C20H22ClF2N5O4S
InChI InChI=1S/C20H22ClF2N5O4S/c1-4-5-10-28-15-16(26(2)19(31)27(3)17(15)30)25-18(28)33-11-14(29)24-12-6-8-13(9-7-12)32-20(21,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,24,29)
InChIKey FVMZKTWAWBQYBD-UHFFFAOYSA-N
Molecular Weight 501.937 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CCCC)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-0udi-4491140000-2a935e2a55249c168be9
Synonyms 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]ethanamide
Wiley ID 1462575