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1,3-Bis(4-methylphenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxyloic acid
SpectraBase Compound ID BoZ5FC6ITyc
InChI InChI=1S/C21H16N2O3S2/c1-12-3-7-14(8-4-12)22-18(24)16-11-17(20(25)26)28-19(16)23(21(22)27)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,25,26)
InChIKey JMBSDOZUMYHBMT-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C21H16N2O3S2
Exact Mass 408.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWcwnzvxE8q
Name 1,3-Bis(4-methylphenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxyloic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O3S2
InChI InChI=1S/C21H16N2O3S2/c1-12-3-7-14(8-4-12)22-18(24)16-11-17(20(25)26)28-19(16)23(21(22)27)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,25,26)
InChIKey JMBSDOZUMYHBMT-UHFFFAOYSA-N
Molecular Weight 408.490 g/mol
SMILES OC(c1sc2c(C(=O)N(C(N2c2ccc(cc2)C)=S)c2ccc(cc2)C)c1)=O
SPLASH splash10-0a4i-0091200000-d488f1027fcc6b91b028
Source of Spectrum Y1-35-716-7
Synonyms 1,3-bis(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Wiley ID 1526768