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3-[(E)-(4-chlorobenzylidene)amino]-2-(methylthio)pyrimidin-4-one
SpectraBase Compound ID 2nYRFuBsALI
InChI InChI=1S/C12H10ClN3OS/c1-18-12-14-7-6-11(17)16(12)15-8-9-2-4-10(13)5-3-9/h2-8H,1H3/b15-8+
InChIKey BMNFQZUTYKFUNW-OVCLIPMQSA-N
Mol Weight 279.75 g/mol
Molecular Formula C12H10ClN3OS
Exact Mass 279.023311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37DKyx2B92G
Name 3-[(E)-(4-chlorobenzylidene)amino]-2-(methylthio)pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN3OS
InChI InChI=1S/C12H10ClN3OS/c1-18-12-14-7-6-11(17)16(12)15-8-9-2-4-10(13)5-3-9/h2-8H,1H3/b15-8+
InChIKey BMNFQZUTYKFUNW-OVCLIPMQSA-N
Molecular Weight 279.745 g/mol
SMILES C=1(N(C(C=CN1)=O)\N=C\c1ccc(cc1)Cl)SC
SPLASH splash10-0006-3900000000-f839b40a31eb394bc0dc
Source of Spectrum J-67-6735-20
Synonyms 3-[(E)-(4-chlorophenyl)methyleneamino]-2-methylsulfanyl-pyrimidin-4-one 3-[(E)-(4-chlorophenyl)methylideneamino]-2-(methylthio)-4-pyrimidinone 3-[(E)-(4-chlorophenyl)methylideneamino]-2-methylsulfanyl-pyrimidin-4-one
Wiley ID 1570879