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Acetamide, N-[7-[1,2-bis(acetyloxy)ethyl]-1,4-dihydro-6-(methylthio)-4-oxothieno[3,2-g]pteridin-2-yl]-, (.+-.)-
SpectraBase Compound ID DMzcigOw1Oh
InChI InChI=1S/C17H17N5O6S2/c1-6(23)18-17-21-14-11(15(26)22-17)19-10-13(29-4)12(30-16(10)20-14)9(28-8(3)25)5-27-7(2)24/h9H,5H2,1-4H3,(H2,18,20,21,22,23,26)
InChIKey XBRRUFJCLPEKHA-UHFFFAOYSA-N
Mol Weight 451.47 g/mol
Molecular Formula C17H17N5O6S2
Exact Mass 451.062026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lxb74G9054F
Name Acetamide, N-[7-[1,2-bis(acetyloxy)ethyl]-1,4-dihydro-6-(methylthio)-4-oxothieno[3,2-g]pteridin-2-yl]-, (.+-.)-
CAS Registry Number 117735-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O6S2
InChI InChI=1S/C17H17N5O6S2/c1-6(23)18-17-21-14-11(15(26)22-17)19-10-13(29-4)12(30-16(10)20-14)9(28-8(3)25)5-27-7(2)24/h9H,5H2,1-4H3,(H2,18,20,21,22,23,26)
InChIKey XBRRUFJCLPEKHA-UHFFFAOYSA-N
Molecular Weight 451.472 g/mol
SMILES N1C(c2c(N=C1NC(=O)C)nc1c(n2)c(c(s1)C(OC(=O)C)COC(=O)C)SC)=O
SPLASH splash10-0f7w-0069100000-3bdd9c2bdf93acdb5caa
Source of Spectrum JB-65-612-3
Synonyms Urothion triacetyl 1-[2-(acetylamino)-6-(methylsulfanyl)-4-oxo-3,4-dihydrothieno[3,2-g]pteridin-7-yl]-2-(acetyloxy)ethyl acetate Thieno[3,2-g]pteridine, acetamide deriv. 2-Acetat-mido-7-(1,2-diacetoxyethyl)-6-(methylthio)thieno[3,2-g]ptreidin-4-(3H)-one
Wiley ID 1387905