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3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
SpectraBase Compound ID HpcHf2mA4Ll
InChI InChI=1S/C12H11N3O2S/c1-18-12-14-10-9(11(17)15-12)6-3-2-4-8(16)7(6)5-13-10/h5H,2-4H2,1H3,(H,13,14,15,17)
InChIKey BGWIUICGNMHFHG-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C12H11N3O2S
Exact Mass 261.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID en3w87jLR1
Name 3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O2S
InChI InChI=1S/C12H11N3O2S/c1-18-12-14-10-9(11(17)15-12)6-3-2-4-8(16)7(6)5-13-10/h5H,2-4H2,1H3,(H,13,14,15,17)
InChIKey BGWIUICGNMHFHG-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,C.CISNEROS,B.INSUASTY,R.ABONIA,M.NOGUERAS,M.SORTIN O,S.ZACCHINO
Literature Reference Citation J.HETCYCL.CHEM.,43,463(2006)
Literature Reference DOI 10.1002/jhet.5570430231
Molecular Weight 261.298 g/mol
Sample ID 67335
Solvent DMSO-D6