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5-Pyrimidinecarboxamide, 4-(aminothio)-N,N-diethyl-2,6-diphenyl-
SpectraBase Compound ID AI3qAjQ71Ar
InChI InChI=1S/C21H22N4OS/c1-3-25(4-2)21(26)17-18(15-11-7-5-8-12-15)23-19(24-20(17)27-22)16-13-9-6-10-14-16/h5-14H,3-4,22H2,1-2H3
InChIKey CNNKLRCNZFPXPR-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkFOfkPxQ05
Name 5-Pyrimidinecarboxamide, 4-(aminothio)-N,N-diethyl-2,6-diphenyl-
CAS Registry Number 91119-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4OS
InChI InChI=1S/C21H22N4OS/c1-3-25(4-2)21(26)17-18(15-11-7-5-8-12-15)23-19(24-20(17)27-22)16-13-9-6-10-14-16/h5-14H,3-4,22H2,1-2H3
InChIKey CNNKLRCNZFPXPR-UHFFFAOYSA-N
Molecular Weight 378.494 g/mol
SMILES NSc1c(c(nc(n1)-c1ccccc1)-c1ccccc1)C(N(CC)CC)=O
SPLASH splash10-0a4i-0209000000-a9f0af7b09267de1e97f
Source of Spectrum AJ-57-606-11
Synonyms 4-(aminosulfanyl)-N,N-diethyl-2,6-diphenyl-5-pyrimidinecarboxamide 4-(aminothio)-5-diethylcarbamoyl-2,6-diphenylpyrimidine
Wiley ID 1358771