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2,3-Dihydro-6,7-dihydroxy-8-methoxy-2-thioxo-1H-pyrimido[4,5-b]indol-4(9H)-one
SpectraBase Compound ID CTKqHCcmBga
InChI InChI=1S/C11H9N3O4S/c1-18-8-6-3(2-4(15)7(8)16)5-9(12-6)13-11(19)14-10(5)17/h2,15-16H,1H3,(H3,12,13,14,17,19)
InChIKey HHJAEGHNOFJOEF-UHFFFAOYSA-N
Mol Weight 279.27 g/mol
Molecular Formula C11H9N3O4S
Exact Mass 279.031377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38OYITPbo8
Name 2,3-Dihydro-6,7-dihydroxy-8-methoxy-2-thioxo-1H-pyrimido[4,5-b]indol-4(9H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O4S
InChI InChI=1S/C11H9N3O4S/c1-18-8-6-3(2-4(15)7(8)16)5-9(12-6)13-11(19)14-10(5)17/h2,15-16H,1H3,(H3,12,13,14,17,19)
InChIKey HHJAEGHNOFJOEF-UHFFFAOYSA-N
Molecular Weight 279.270 g/mol
SMILES N1C(c2c3c(c(c(c(c3)O)O)OC)[nH]c2NC1=S)=O
SPLASH splash10-0gxx-7490000000-3e226b859b5b414a284d
Source of Spectrum Y-47-44-8f
Synonyms 6,7-Dihydroxy-8-methoxy-2-sulfanylidene-1,9-dihydropyrimido[4,5-b]indol-4-one 6,7-Dihydroxy-8-methoxy-2-thioxo-1,9-dihydropyrimido[4,5-b]indol-4-one 8-Methoxy-6,7-bis(oxidanyl)-2-sulfanylidene-1,9-dihydropyrimido[4,5-b]indol-4-one
Wiley ID 1667075