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2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide
SpectraBase Compound ID H4Bg30W2nB8
InChI InChI=1S/C16H16FN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-5-3-4-6-10(9)17/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey AZWGMJHFQRKKDS-UHFFFAOYSA-N
Mol Weight 377.39 g/mol
Molecular Formula C16H16FN5O3S
Exact Mass 377.095789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tnOBL8Sgwy
Name 2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide
Alternate Name(s) 2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetamide 2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide 2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
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Formula C16H16FN5O3S
InChI InChI=1S/C16H16FN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-5-3-4-6-10(9)17/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey AZWGMJHFQRKKDS-UHFFFAOYSA-N
Molecular Weight 377.394 g/mol
SMILES NC(CSc1[n](c2C(N(C(=O)N(C)c2n1)C)=O)Cc1ccccc1F)=O
SPLASH splash10-0a4i-3912000000-e8a7d6785e9aa2bb2d8b
Wiley ID 1511947