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5-(4-Chlorophenyl)-1,2,3,4-tetrahydro-2-(2,4-dimethoxyphenyl)-4-oxothieno[2,3-d]-pyrimidine-6-carboxamide
SpectraBase Compound ID hI3EcMEmq3
InChI InChI=1S/C21H18ClN3O4S/c1-28-12-7-8-13(14(9-12)29-2)19-24-20(27)16-15(10-3-5-11(22)6-4-10)17(18(23)26)30-21(16)25-19/h3-9,19,25H,1-2H3,(H2,23,26)(H,24,27)
InChIKey RCZBAJHKISLGGX-UHFFFAOYSA-N
Mol Weight 443.91 g/mol
Molecular Formula C21H18ClN3O4S
Exact Mass 443.070655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCGv88oYPCd
Name 5-(4-Chlorophenyl)-1,2,3,4-tetrahydro-2-(2,4-dimethoxyphenyl)-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 C21H18ClN3O4S
InChI InChI=1S/C21H18ClN3O4S/c1-28-12-7-8-13(14(9-12)29-2)19-24-20(27)16-15(10-3-5-11(22)6-4-10)17(18(23)26)30-21(16)25-19/h3-9,19,25H,1-2H3,(H2,23,26)(H,24,27)
InChIKey RCZBAJHKISLGGX-UHFFFAOYSA-N
Molecular Weight 443.905 g/mol
SMILES NC(c1sc2c(C(NC(c3c(cc(cc3)OC)OC)N2)=O)c1-c1ccc(cc1)Cl)=O
SPLASH splash10-0006-0000900000-7eef044edcb1dc72b3b7
Source of Spectrum Y-49-368-12b
Wiley ID 1706554