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FTGSSACNKDXGKV-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

FTGSSACNKDXGKV-UHFFFAOYSA-N
SpectraBase Compound ID H8dL11l4V8t
InChI InChI=1S/C20H20N4O4S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey FTGSSACNKDXGKV-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLKY1y2lBKi
Name 8,8-Dimethyl-2-(methylsulfanyl)-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N4O4S
InChI InChI=1S/C20H20N4O4S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey FTGSSACNKDXGKV-UHFFFAOYSA-N
Molecular Weight 412.464 g/mol
SMILES N1C(C=2C(C3=C(CC(CC3=O)(C)C)NC2N=C1SC)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0006-9000000000-52d49c62b8e04e28d3dc
Source of Spectrum Y-35-233-4
Synonyms 8,8-Dimethyl-2-(methylthio)-5-(4-nitrophenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione 8,8-Dimethyl-2-(methylthio)-5-(4-nitrophenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone 8,8-Dimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
Wiley ID 1374332