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5-Methyl-4-(methylthio)-2-phenylpyrimido[4,5-d]pyrimidine
SpectraBase Compound ID FjN2X64QU42
InChI InChI=1S/C14H12N4S/c1-9-11-13(16-8-15-9)17-12(18-14(11)19-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey WNPNKJUBTFQZSD-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GfixLO5n6G
Name 5-Methyl-4-(methylthio)-2-phenylpyrimido[4,5-d]pyrimidine
Alternate Name(s) 5-methyl-4-methylsulfanyl-2-phenylpyrimido[4,5-d]pyrimidine 5-methyl-4-methylsulfanyl-2-phenyl-pyrimido[4,5-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c1-9-11-13(16-8-15-9)17-12(18-14(11)19-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey WNPNKJUBTFQZSD-UHFFFAOYSA-N
Molecular Weight 268.338 g/mol
SMILES c1(nc2c(c(n1)SC)c(ncn2)C)-c1ccccc1
SPLASH splash10-0udi-0090000000-bbe8c39aff437f31d55b
Source of Spectrum F9-1995-1327-9
Wiley ID 1567009