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5-Pyrimidinecarboxamide, N,N-diethyl-1,4-dihydro-2,6-diphenyl-4-thioxo-
SpectraBase Compound ID Ar7z8nyOZKz
InChI InChI=1S/C21H21N3OS/c1-3-24(4-2)21(25)17-18(15-11-7-5-8-12-15)22-19(23-20(17)26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,22,23,26)
InChIKey PJCBHVKNQJTBNK-UHFFFAOYSA-N
Mol Weight 363.48 g/mol
Molecular Formula C21H21N3OS
Exact Mass 363.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvCBoHsPCKl
Name 5-Pyrimidinecarboxamide, N,N-diethyl-1,4-dihydro-2,6-diphenyl-4-thioxo-
CAS Registry Number 91119-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3OS
InChI InChI=1S/C21H21N3OS/c1-3-24(4-2)21(25)17-18(15-11-7-5-8-12-15)22-19(23-20(17)26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,22,23,26)
InChIKey PJCBHVKNQJTBNK-UHFFFAOYSA-N
Molecular Weight 363.479 g/mol
SMILES Sc1c(c(nc(n1)-c1ccccc1)-c1ccccc1)C(N(CC)CC)=O
SPLASH splash10-0fk9-9633000000-6ddb5bd6a712ba8c13fa
Source of Spectrum AJ-57-606-7
Synonyms 5-Diethylcarbamoyl-4-mercapto-2,6-diphenylpyrimidine N,N-diethyl-2,4-diphenyl-6-sulfanyl-5-pyrimidinecarboxamide
Wiley ID 1350288