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2-N-Butylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
SpectraBase Compound ID GwSlPEfq1TL
InChI InChI=1S/C23H21N3OS2/c1-2-3-14-24-23-25-20-19(21(27)26(23)17-12-8-5-9-13-17)15-18(22(28)29-20)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3,(H,24,25)
InChIKey JONOPFAEMOSHBC-UHFFFAOYSA-N
Mol Weight 419.56 g/mol
Molecular Formula C23H21N3OS2
Exact Mass 419.112605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J8SyazU7Jq
Name 2-N-Butylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3OS2
InChI InChI=1S/C23H21N3OS2/c1-2-3-14-24-23-25-20-19(21(27)26(23)17-12-8-5-9-13-17)15-18(22(28)29-20)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3,(H,24,25)
InChIKey JONOPFAEMOSHBC-UHFFFAOYSA-N
Molecular Weight 419.561 g/mol
SMILES N(C=1N(C(C2=C(N1)SC(C(=C2)c1ccccc1)=S)=O)c1ccccc1)CCCC
SPLASH splash10-014i-0000900000-ae2dbba68e38bec6dba3
Source of Spectrum Y-49-392-15b
Wiley ID 1706533