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2,3-Dihydro-6,7-dihydroxy-2-thioxo-1H-pyrimido[4,5-b]indol-4(9H)-one
SpectraBase Compound ID ZVk3VfIrSY
InChI InChI=1S/C10H7N3O3S/c14-5-1-3-4(2-6(5)15)11-8-7(3)9(16)13-10(17)12-8/h1-2,14-15H,(H3,11,12,13,16,17)
InChIKey VDJASEAOOQJAAI-UHFFFAOYSA-N
Mol Weight 249.24 g/mol
Molecular Formula C10H7N3O3S
Exact Mass 249.020812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2U32ZDmiuNP
Name 2,3-Dihydro-6,7-dihydroxy-2-thioxo-1H-pyrimido[4,5-b]indol-4(9H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O3S
InChI InChI=1S/C10H7N3O3S/c14-5-1-3-4(2-6(5)15)11-8-7(3)9(16)13-10(17)12-8/h1-2,14-15H,(H3,11,12,13,16,17)
InChIKey VDJASEAOOQJAAI-UHFFFAOYSA-N
Molecular Weight 249.244 g/mol
SMILES N1C(NC(c2c3cc(c(cc3[nH]c12)O)O)=O)=S
SPLASH splash10-015d-9570000000-d7257e21ff5de47002be
Source of Spectrum Y-47-44-8d
Synonyms 6,7-Dihydroxy-2-sulfanylidene-1,9-dihydropyrimido[4,5-b]indol-4-one 6,7-Dihydroxy-2-thioxo-1,9-dihydropyrimido[4,5-b]indol-4-one 6,7-bis(oxidanyl)-2-sulfanylidene-1,9-dihydropyrimido[4,5-b]indol-4-one
Wiley ID 1711126