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3-Penten-1-ol, 4-(7-methylpyrimido[4,5-d]pyrimidin-3(4H)-yl)-3-(methylthio)-
SpectraBase Compound ID KHWHCJW8pyQ
InChI InChI=1S/C13H18N4OS/c1-9(12(19-3)4-5-18)17-7-11-6-14-10(2)16-13(11)15-8-17/h6,8,18H,4-5,7H2,1-3H3/b12-9+
InChIKey FAPRZNMHKNBEMS-FMIVXFBMSA-N
Mol Weight 278.37 g/mol
Molecular Formula C13H18N4OS
Exact Mass 278.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69qp8bfn4ku
Name 3-Penten-1-ol, 4-(7-methylpyrimido[4,5-d]pyrimidin-3(4H)-yl)-3-(methylthio)-
CAS Registry Number 124357-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4OS
InChI InChI=1S/C13H18N4OS/c1-9(12(19-3)4-5-18)17-7-11-6-14-10(2)16-13(11)15-8-17/h6,8,18H,4-5,7H2,1-3H3/b12-9+
InChIKey FAPRZNMHKNBEMS-FMIVXFBMSA-N
Molecular Weight 278.374 g/mol
SMILES OCC\C(=C\(N1C=Nc2c(C1)cnc(C)n2)C)SC
SPLASH splash10-0072-0910000000-483d9970bdadea551caf
Source of Spectrum J-55-469-9
Synonyms Pyrimido[4,5-d]pyrimidine, 3-penten-1-ol deriv. (3E)-4-(7-methylpyrimido[4,5-d]pyrimidin-3(4H)-yl)-3-(methylsulfanyl)-3-penten-1-ol 3-Methyl-6-(5-hydroxy-3-(methylmercapto)-2-penten-2-yl)-5,6-dihydropyrimido[4,5-d]pyrimidine
Wiley ID 1281667