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2-thioxo-5,7-di-p-tolyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID 9tZvphbGGRK
InChI InChI=1S/C21H17N3OS/c1-12-3-7-14(8-4-12)16-11-17(15-9-5-13(2)6-10-15)22-19-18(16)20(25)24-21(26)23-19/h3-11H,1-2H3,(H2,22,23,24,25,26)
InChIKey IKTUBLSYEJURBV-UHFFFAOYSA-N
Mol Weight 359.45 g/mol
Molecular Formula C21H17N3OS
Exact Mass 359.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75cliWzYjDe
Name 2-thioxo-5,7-di-p-tolyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Appearance Yellowish-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3OS
InChI InChI=1S/C21H17N3OS/c1-12-3-7-14(8-4-12)16-11-17(15-9-5-13(2)6-10-15)22-19-18(16)20(25)24-21(26)23-19/h3-11H,1-2H3,(H2,22,23,24,25,26)
InChIKey IKTUBLSYEJURBV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 359.447 g/mol
SMILES N1C(c2c(nc(cc2-c2ccc(cc2)C)-c2ccc(cc2)C)NC1=S)=O
SPLASH splash10-00fu-6893000000-f60aed94c5efde49006a
Source of Spectrum Y-54-1246-3
Wiley ID 1878134