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Methyl 1,3-di(4-methylphenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID HBde4kZnufd
InChI InChI=1S/C22H18N2O3S2/c1-13-4-8-15(9-5-13)23-19(25)17-12-18(21(26)27-3)29-20(17)24(22(23)28)16-10-6-14(2)7-11-16/h4-12H,1-3H3
InChIKey JPKSEBWRFPIFMZ-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C22H18N2O3S2
Exact Mass 422.075885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oGrXV4DeP7
Name Methyl 1,3-di(4-methylphenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N2O3S2
InChI InChI=1S/C22H18N2O3S2/c1-13-4-8-15(9-5-13)23-19(25)17-12-18(21(26)27-3)29-20(17)24(22(23)28)16-10-6-14(2)7-11-16/h4-12H,1-3H3
InChIKey JPKSEBWRFPIFMZ-UHFFFAOYSA-N
Molecular Weight 422.517 g/mol
SMILES C1(N(c2c(C(N1c1ccc(cc1)C)=O)cc(s2)C(=O)OC)c1ccc(cc1)C)=S
SPLASH splash10-0a4i-0090400000-eae54e37662c9065cce1
Source of Spectrum Y1-35-716-5
Synonyms Methyl 1,3-bis(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID 1526777