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N,N,2-trimethyl-2-[2,3,5,6-tetrahydro-1,3-dimethyl-6-oxo-5,5-diphenyl-2-thioxo-4(1H)-pyrimidinylidenamino]-propionothioamide

View entire compound with spectra: 1 MS (GC)

N,N,2-trimethyl-2-[2,3,5,6-tetrahydro-1,3-dimethyl-6-oxo-5,5-diphenyl-2-thioxo-4(1H)-pyrimidinylidenamino]-propionothioamide
SpectraBase Compound ID H7j2xrVVm5C
InChI InChI=1S/C24H28N4OS2/c1-23(2,21(30)26(3)4)25-19-24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)20(29)28(6)22(31)27(19)5/h7-16H,1-6H3/b25-19+
InChIKey QMEDAJRBVCJQGY-NCELDCMTSA-N
Mol Weight 452.64 g/mol
Molecular Formula C24H28N4OS2
Exact Mass 452.170454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfjRxo5pBMQ
Name N,N,2-trimethyl-2-[2,3,5,6-tetrahydro-1,3-dimethyl-6-oxo-5,5-diphenyl-2-thioxo-4(1H)-pyrimidinylidenamino]-propionothioamide
CAS Registry Number 106568-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4OS2
InChI InChI=1S/C24H28N4OS2/c1-23(2,21(30)26(3)4)25-19-24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)20(29)28(6)22(31)27(19)5/h7-16H,1-6H3/b25-19+
InChIKey QMEDAJRBVCJQGY-NCELDCMTSA-N
Molecular Weight 452.635 g/mol
SMILES C1(N(\C(C(C(N1C)=O)(c1ccccc1)c1ccccc1)=N/C(C(=S)N(C)C)(C)C)C)=S
SPLASH splash10-03di-1119000000-a54d98617c2d05becec7
Source of Spectrum K-120-408-7
Synonyms 2-[((4E)-1,3-dimethyl-6-oxo-5,5-diphenyl-2-thioxotetrahydro-4(1H)-pyrimidinylidene)amino]-N,N,2-trimethylpropanethioamide
Wiley ID 1388237