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5,5'-Methylenebis[6-amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one]
SpectraBase Compound ID 61MV5GUxVLG
InChI InChI=1S/C13H18N6O2S2/c1-18-10(20)6(8(14)16-12(18)22-3)5-7-9(15)17-13(23-4)19(2)11(7)21/h5,14-15H2,1-4H3
InChIKey ROGPVNQYPHQRLA-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C13H18N6O2S2
Exact Mass 354.093266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9bRWlCj5gJ
Name 5,5'-Methylenebis[6-amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one]
Appearance Solid
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Formula C13H18N6O2S2
InChI InChI=1S/C13H18N6O2S2/c1-18-10(20)6(8(14)16-12(18)22-3)5-7-9(15)17-13(23-4)19(2)11(7)21/h5,14-15H2,1-4H3
InChIKey ROGPVNQYPHQRLA-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 354.447 g/mol
Reported Formula C13H18N6O2S2
SMILES NC=1N=C(N(C(C1CC1=C(N=C(N(C1=O)C)SC)N)=O)C)SC
SPLASH splash10-0f81-9311000000-c0691db965253330b30c
Source of Spectrum AJC-12-SM99-4c
Wiley ID 1857367