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5-(4-Chlorophenyl)-1,2,3,4-tetrahydro-2-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SpectraBase Compound ID Ys6aNdZsh0
InChI InChI=1S/C19H13ClN4O4S/c20-11-5-1-9(2-6-11)13-14-18(26)22-17(23-19(14)29-15(13)16(21)25)10-3-7-12(8-4-10)24(27)28/h1-8,17,23H,(H2,21,25)(H,22,26)
InChIKey YHVJZYZDSIHKKX-UHFFFAOYSA-N
Mol Weight 428.85 g/mol
Molecular Formula C19H13ClN4O4S
Exact Mass 428.034604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UMsCPfoYmc
Name 5-(4-Chlorophenyl)-1,2,3,4-tetrahydro-2-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClN4O4S
InChI InChI=1S/C19H13ClN4O4S/c20-11-5-1-9(2-6-11)13-14-18(26)22-17(23-19(14)29-15(13)16(21)25)10-3-7-12(8-4-10)24(27)28/h1-8,17,23H,(H2,21,25)(H,22,26)
InChIKey YHVJZYZDSIHKKX-UHFFFAOYSA-N
Molecular Weight 428.850 g/mol
SMILES NC(c1sc2c(C(NC(c3ccc(N(=O)=O)cc3)N2)=O)c1-c1ccc(cc1)Cl)=O
SPLASH splash10-004i-0000900000-5d463d388b3367e31c22
Source of Spectrum Y-49-368-12c
Wiley ID 1706553