| SpectraBase Spectrum ID |
1ukmJtG8jAk |
| Name |
4-(4'-Chlorophenyl)-8-methylthio-1,2,3,5-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13N5O3S |
| InChI |
InChI=1S/C14H13N5O3S/c1-23-11-6-10(20)17-13-12(15-7-16-14(13)18-11)8-2-4-9(5-3-8)19(21)22/h2-5,15H,6-7H2,1H3,(H,17,20) |
| InChIKey |
QENNBWQMVLTOMX-UHFFFAOYSA-N |
| Molecular Weight |
331.350 g/mol |
| SMILES |
N1C(CC(=NC=2C1=C(NCN2)c1ccc(N(=O)=O)cc1)SC)=O |
| SPLASH |
splash10-001i-0009000000-ad8ac908c0ddaf60122a |
| Source of Spectrum |
Y-35-1399-3 |
| Synonyms |
4-(4'-Nitrophenyl)-8-(methylthio)-2,3,6,7-tetrahydro-1H-pyrimido[4,5-b]-[1,4]-diazepin-6-one
8-(methylsulfanyl)-4-(4-nitrophenyl)-2,3,5,7-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one |
| Wiley ID |
1328512 |
![4-(4'-Chlorophenyl)-8-methylthio-1,2,3,5-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one](/api/spectrum/1ukmJtG8jAk/structure.png?h=300&w=458 "4-(4'-Chlorophenyl)-8-methylthio-1,2,3,5-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one")
