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6-(4-Methylphenyl)-2-phenyl-5-thioxo-5,6-dihydrothiazolo[4,5-d]pyrimidine
SpectraBase Compound ID JJZScAOVMAS
InChI InChI=1S/C18H13N3S2/c1-12-7-9-14(10-8-12)21-11-15-16(20-18(21)22)19-17(23-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey CVOLFUVZMRXHBE-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C18H13N3S2
Exact Mass 335.05509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lqt30vZiF5i
Name 6-(4-Methylphenyl)-2-phenyl-5-thioxo-5,6-dihydrothiazolo[4,5-d]pyrimidine
CAS Registry Number 115437-68-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3S2
InChI InChI=1S/C18H13N3S2/c1-12-7-9-14(10-8-12)21-11-15-16(20-18(21)22)19-17(23-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey CVOLFUVZMRXHBE-UHFFFAOYSA-N
Molecular Weight 335.443 g/mol
SMILES C12=NC(N(C=C2SC(=N1)c1ccccc1)c1ccc(cc1)C)=S
SPLASH splash10-003u-8409000000-e6130f842d62d01c0eb1
Source of Spectrum J-53-4662-36
Synonyms 6-(4-Methylphenyl)-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5(6H)-thione
Wiley ID 1331649