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5-(4-Chlorophenyl)-3,4-dihydro-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SpectraBase Compound ID 59pq2KtYyzo
InChI InChI=1S/C13H8ClN3O2S/c14-7-3-1-6(2-4-7)8-9-12(19)16-5-17-13(9)20-10(8)11(15)18/h1-5H,(H2,15,18)(H,16,17,19)
InChIKey AYICYWDMKPRXRT-UHFFFAOYSA-N
Mol Weight 305.74 g/mol
Molecular Formula C13H8ClN3O2S
Exact Mass 305.002575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMp0WrkPcAB
Name 5-(4-Chlorophenyl)-3,4-dihydro-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
Alternate Name(s) 5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide 5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[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 C13H8ClN3O2S
InChI InChI=1S/C13H8ClN3O2S/c14-7-3-1-6(2-4-7)8-9-12(19)16-5-17-13(9)20-10(8)11(15)18/h1-5H,(H2,15,18)(H,16,17,19)
InChIKey AYICYWDMKPRXRT-UHFFFAOYSA-N
Molecular Weight 305.739 g/mol
SMILES NC(c1c(c2c(N=CNC2=O)s1)-c1ccc(cc1)Cl)=O
SPLASH splash10-0a4i-0009000000-01d5ead1bb5bd41a0c9b
Source of Spectrum Y-49-367-5
Wiley ID 1706567