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2-[5-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID 9aYMt6GAQ1w
InChI InChI=1S/C20H22N8O3S/c1-5-12-6-8-13(9-7-12)23-14(29)10-28-18(21-11-22-28)32-19-24-16-15(25(19)2)17(30)27(4)20(31)26(16)3/h6-9,11H,5,10H2,1-4H3,(H,23,29)
InChIKey NCZHGZFMOSPBNL-UHFFFAOYSA-N
Mol Weight 454.51 g/mol
Molecular Formula C20H22N8O3S
Exact Mass 454.153558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n8v6fYkKiT
Name 2-[5-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N8O3S
InChI InChI=1S/C20H22N8O3S/c1-5-12-6-8-13(9-7-12)23-14(29)10-28-18(21-11-22-28)32-19-24-16-15(25(19)2)17(30)27(4)20(31)26(16)3/h6-9,11H,5,10H2,1-4H3,(H,23,29)
InChIKey NCZHGZFMOSPBNL-UHFFFAOYSA-N
Molecular Weight 454.509 g/mol
SMILES N(C(C[n]1c(Sc2nc3c(C(=O)N(C(N3C)=O)C)[n]2C)ncn1)=O)c1ccc(cc1)CC
SPLASH splash10-004i-1291100000-7935cd4f8a2d2090e5bf
Synonyms N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide N-(4-ethylphenyl)-2-[5-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-1,2,4-triazol-1-yl]acetamide N-(4-ethylphenyl)-2-[5-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-1,2,4-triazol-1-yl]ethanamide N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Wiley ID 1442917