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7-Cyclopropylmethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 5u1QZlKSUT0
InChI InChI=1S/C11H14N4O2S/c1-13-8-7(9(16)14(2)11(13)17)15(10(18)12-8)5-6-3-4-6/h6H,3-5H2,1-2H3,(H,12,18)
InChIKey HFVIHTQZNWZYQZ-UHFFFAOYSA-N
Mol Weight 266.32 g/mol
Molecular Formula C11H14N4O2S
Exact Mass 266.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azyriiee5RY
Name 7-Cyclopropylmethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Alternate Name(s) 7-(Cyclopropylmethyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione 7-(cyclopropylmethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione 7-(cyclopropylmethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone 7-Cyclopropylmethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C11H14N4O2S
InChI InChI=1S/C11H14N4O2S/c1-13-8-7(9(16)14(2)11(13)17)15(10(18)12-8)5-6-3-4-6/h6H,3-5H2,1-2H3,(H,12,18)
InChIKey HFVIHTQZNWZYQZ-UHFFFAOYSA-N
Molecular Weight 266.319 g/mol
SMILES Sc1nc2c([n]1CC1CC1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0900-5390000000-8fb45b77decb1251af9c
Wiley ID 1458225