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1-Methyl-6,7,8,9-tetrahydro[1,3]thiazepino[2,3-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID DELAphTnQ51
InChI InChI=1S/C10H12N4O2S/c1-13-7-6(8(15)12-9(13)16)14-4-2-3-5-17-10(14)11-7/h2-5H2,1H3,(H,12,15,16)
InChIKey SNHYIIVBRKLSTJ-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C10H12N4O2S
Exact Mass 252.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57i8bIDTYzL
Name 1-Methyl-6,7,8,9-tetrahydro[1,3]thiazepino[2,3-f]purine-2,4(1H,3H)-dione
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Formula C10H12N4O2S
InChI InChI=1S/C10H12N4O2S/c1-13-7-6(8(15)12-9(13)16)14-4-2-3-5-17-10(14)11-7/h2-5H2,1H3,(H,12,15,16)
InChIKey SNHYIIVBRKLSTJ-UHFFFAOYSA-N
Molecular Weight 252.292 g/mol
SMILES N1C(c2[n]3CCCCSc3nc2N(C1=O)C)=O
SPLASH splash10-0udi-6390000000-4fd4c9851b94ad2413a0
Synonyms 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-quinone 1H-9-Thia-1,3,4b,10-tetraazabenzo[a]azulene-2,4-dione, 1-methyl-5,6,7,8-tetrahydro-
Wiley ID 1440879