| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1690056 |
![3,8,8-Trimethyl-2-methylthio-5-(4-nitrophenyl)-5,8,9,10-tetrahydro-pyrimido[4,5-b]quinoline-4,6-dione](/api/spectrum/IhJAygjgn27/structure.png?h=300&w=458 "3,8,8-Trimethyl-2-methylthio-5-(4-nitrophenyl)-5,8,9,10-tetrahydro-pyrimido[4,5-b]quinoline-4,6-dione")
