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3,8,8-Trimethyl-2-methylthio-5-(4-nitrophenyl)-5,8,9,10-tetrahydro-pyrimido[4,5-b]quinoline-4,6-dione

View entire compound with spectra: 1 MS (GC)

3,8,8-Trimethyl-2-methylthio-5-(4-nitrophenyl)-5,8,9,10-tetrahydro-pyrimido[4,5-b]quinoline-4,6-dione
SpectraBase Compound ID 9UTn3AD0S61
InChI InChI=1S/C21H22N4O4S/c1-21(2)9-13-16(14(26)10-21)15(11-5-7-12(8-6-11)25(28)29)17-18(22-13)23-20(30-4)24(3)19(17)27/h5-8,15,22H,9-10H2,1-4H3
InChIKey JEWRBILALXNBKY-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C21H22N4O4S
Exact Mass 426.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhJAygjgn27
Name 3,8,8-Trimethyl-2-methylthio-5-(4-nitrophenyl)-5,8,9,10-tetrahydro-pyrimido[4,5-b]quinoline-4,6-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O4S
InChI InChI=1S/C21H22N4O4S/c1-21(2)9-13-16(14(26)10-21)15(11-5-7-12(8-6-11)25(28)29)17-18(22-13)23-20(30-4)24(3)19(17)27/h5-8,15,22H,9-10H2,1-4H3
InChIKey JEWRBILALXNBKY-UHFFFAOYSA-N
Molecular Weight 426.491 g/mol
SMILES N1C2=C(C(C=3C(CC(CC13)(C)C)=O)c1ccc(N(=O)=O)cc1)C(N(C(=N2)SC)C)=O
SPLASH splash10-004i-0000900000-8ef0ccc4ead8be02683e
Source of Spectrum F2-46-28-11
Synonyms 3,8,8-trimethyl-2-(methylthio)-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione 3,8,8-trimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
Wiley ID 1690056