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N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
SpectraBase Compound ID JJGnzZMiShJ
InChI InChI=1S/C16H14ClF2N5O4/c1-22-13-12(14(26)23(2)15(22)27)24(8-20-13)7-11(25)21-9-3-5-10(6-4-9)28-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey AWZRZULBJFMNHF-UHFFFAOYSA-N
Mol Weight 413.77 g/mol
Molecular Formula C16H14ClF2N5O4
Exact Mass 413.070238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MUtgOqY3od
Name N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
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Formula C16H14ClF2N5O4
InChI InChI=1S/C16H14ClF2N5O4/c1-22-13-12(14(26)23(2)15(22)27)24(8-20-13)7-11(25)21-9-3-5-10(6-4-9)28-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey AWZRZULBJFMNHF-UHFFFAOYSA-N
Molecular Weight 413.769 g/mol
SMILES N(C(C[n]1c2c(N(C(N(C)C2=O)=O)C)nc1)=O)c1ccc(OC(Cl)(F)F)cc1
SPLASH splash10-0006-6910100000-7fa63eae1a78b7beafac
Synonyms N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide N-{4-[chloro(difluoro)methoxy]phenyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Wiley ID 1460390