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4-[2,4-bis(ethylsulfanyl)-5-phenyl-pyrido[2,3-d]pyrimidin-7-yl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SpectraBase Compound ID 8EZpkEo9Bg9
InChI InChI=1S/C27H25N5OS2/c1-4-34-25-23-20(18-12-8-6-9-13-18)16-21(28-24(23)29-27(30-25)35-5-2)22-17(3)31-32(26(22)33)19-14-10-7-11-15-19/h6-16,22H,4-5H2,1-3H3
InChIKey XSMFJXLDLWJNNS-UHFFFAOYSA-N
Mol Weight 499.65 g/mol
Molecular Formula C27H25N5OS2
Exact Mass 499.150053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JY2nHOGwlg1
Name 4-[2,4-bis(ethylsulfanyl)-5-phenyl-pyrido[2,3-d]pyrimidin-7-yl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Alternate Name(s) 4-[2,4-bis(ethylthio)-5-phenyl-7-pyrido[2,3-d]pyrimidinyl]-5-methyl-2-phenyl-4H-pyrazol-3-one 4-[2,4-bis(ethylthio)-5-phenyl-pyrido[2,3-d]pyrimidin-7-yl]-5-methyl-2-phenyl-2-pyrazolin-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5OS2
InChI InChI=1S/C27H25N5OS2/c1-4-34-25-23-20(18-12-8-6-9-13-18)16-21(28-24(23)29-27(30-25)35-5-2)22-17(3)31-32(26(22)33)19-14-10-7-11-15-19/h6-16,22H,4-5H2,1-3H3
InChIKey XSMFJXLDLWJNNS-UHFFFAOYSA-N
Molecular Weight 499.651 g/mol
SMILES C1(N(N=C(C1c1nc2nc(SCC)nc(c2c(c1)-c1ccccc1)SCC)C)c1ccccc1)=O
SPLASH splash10-0002-0000910000-8d01617cf0d4fdd8d384
Source of Spectrum Y-39-313-14
Wiley ID 1528410