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7-(Methylsulfanyl)pyrimido[4,5-d]pyrimidin-4-ol
SpectraBase Compound ID LI0XFDtdSrZ
InChI InChI=1S/C7H6N4OS/c1-13-7-8-2-4-5(11-7)9-3-10-6(4)12/h2-3H,1H3,(H,8,9,10,11,12)
InChIKey QSYONTNEHMOPDC-UHFFFAOYSA-N
Mol Weight 194.21 g/mol
Molecular Formula C7H6N4OS
Exact Mass 194.026232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo19hQTZzND
Name 7-(Methylsulfanyl)pyrimido[4,5-d]pyrimidin-4-ol
Alternate Name(s) 2-(methylthio)-8H-pyrimido[4,5-d]pyrimidin-5-one 2-Methylsulfanyl-8H-pyrimido[4,5-d]pyrimidin-5-one 7-(Methylthio)pyrimido[4,5-d]pyrimidin-4-ol
CAS Registry Number 91996-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4OS
InChI InChI=1S/C7H6N4OS/c1-13-7-8-2-4-5(11-7)9-3-10-6(4)12/h2-3H,1H3,(H,8,9,10,11,12)
InChIKey QSYONTNEHMOPDC-UHFFFAOYSA-N
Molecular Weight 194.212 g/mol
SMILES Oc1c2c(nc(nc2)SC)ncn1
SPLASH splash10-0006-6900000000-6e5b919cb3fac5ba774e
Source of Spectrum AD-0-2532-0
Wiley ID 1428290