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9,9-DIMETHYL-3-THIOXO-3,4,9,10-TETRAHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
SpectraBase Compound ID GCe8W8n7rDL
InChI InChI=1S/C13H13N3O2S/c1-13(2)3-6-7(8(17)4-13)5-14-10-9(6)11(18)16-12(19)15-10/h5H,3-4H2,1-2H3,(H2,14,15,16,18,19)
InChIKey PYLHPGLFKWKLGA-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 693tII6ziJ8
Name 9,9-Dimethyl-3-sulfanylidene-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione
Alternate Name(s) 9,9-Dimethyl-3-thioxo-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione 9,9-Dimethyl-3-thioxo-8,10-dihydro-4H-pyrimid[4,5-c]isoquinoline-1,7-quinone
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Formula C13H13N3O2S
InChI InChI=1S/C13H13N3O2S/c1-13(2)3-6-7(8(17)4-13)5-14-10-9(6)11(18)16-12(19)15-10/h5H,3-4H2,1-2H3,(H2,14,15,16,18,19)
InChIKey PYLHPGLFKWKLGA-UHFFFAOYSA-N
Molecular Weight 275.326 g/mol
SMILES N1C(c2c3c(cnc2NC1=S)C(CC(C3)(C)C)=O)=O
SPLASH splash10-004i-0190000000-5d46772a84654b3bdadb
Source of Spectrum AJ-43-467-5
Wiley ID 1593940