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8-Amino-1,3-dimethyl-6-(methylthio)-2,4-dioxo-1,2,3,4,8,9-hexahydropyrimido[2,1-f]purine-7-carbonitrile
SpectraBase Compound ID GLNz8JKKecq
InChI InChI=1S/C12H11N7O2S/c1-17-8-6(9(20)18(2)12(17)21)19-10(22-3)5(4-13)7(14)15-11(19)16-8/h1-3H3,(H2,14,15,16)
InChIKey KIMQYVUYOKSASG-UHFFFAOYSA-N
Mol Weight 317.33 g/mol
Molecular Formula C12H11N7O2S
Exact Mass 317.069494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGfKugyKwX6
Name 8-Amino-1,3-dimethyl-6-(methylthio)-2,4-dioxo-1,2,3,4,8,9-hexahydropyrimido[2,1-f]purine-7-carbonitrile
Alternate Name(s) 8-Amino-1,3-dimethyl-6-(methylthio)-2,4-dioxo-7-purino[7,8-a]pyrimidinecarbonitrile 8-Amino-1,3-dimethyl-6-methylsulfanyl-2,4-dioxopurino[7,8-a]pyrimidine-7-carbonitrile 8-Amino-1,3-dimethyl-6-methylsulfanyl-2,4-dioxo-purino[7,8-a]pyrimidine-7-carbonitrile 8-Azanyl-1,3-dimethyl-6-methylsulfanyl-2,4-bis(oxidanylidene)purino[7,8-a]pyrimidine-7-carbonitrile
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Formula C12H11N7O2S
InChI InChI=1S/C12H11N7O2S/c1-17-8-6(9(20)18(2)12(17)21)19-10(22-3)5(4-13)7(14)15-11(19)16-8/h1-3H3,(H2,14,15,16)
InChIKey KIMQYVUYOKSASG-UHFFFAOYSA-N
Molecular Weight 317.327 g/mol
SMILES NC=1C(=C([n]2c3c(N(C)C(N(C3=O)C)=O)nc2N1)SC)C#N
SPLASH splash10-014i-7329000000-70c94a63c85acbb03911
Source of Spectrum AH-139-831-8
Wiley ID 1695691