| SpectraBase Spectrum ID |
KmNHbpjR5NK |
| Name |
2,3,6,7-Tetrahydro-8-methylthio-4-(4'-nitrophenyl)-2-phenyl-1H-pyrimodo[4,5-b]-[1,4]-diazepin-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17N5O3S |
| InChI |
InChI=1S/C20H17N5O3S/c1-29-20-23-18-17(19(26)24-20)21-15(13-7-9-14(10-8-13)25(27)28)11-16(22-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,22,23,24,26) |
| InChIKey |
FBTSKLPIOXAXMS-UHFFFAOYSA-N |
| Molecular Weight |
407.448 g/mol |
| SMILES |
N1C(=NC2=C(N=C(CC(N2)c2ccccc2)c2ccc(N(=O)=O)cc2)C1=O)SC |
| SPLASH |
splash10-0udi-0950100000-d467f9d10147d918eb06 |
| Source of Spectrum |
Y-31-64-3 |
| Synonyms |
2-Methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one |
| Wiley ID |
761446 |
![2,3,6,7-TETRAHYDRO-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE](/api/spectrum/KmNHbpjR5NK/structure.png?h=300&w=458 "2,3,6,7-TETRAHYDRO-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE")
