| SpectraBase Spectrum ID |
IsgyS1w6U7q |
| Name |
4-(1,3-benzodioxol-5-yl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H9N3O3S |
| InChI |
InChI=1S/C12H9N3O3S/c13-4-7-10(14-12(19)15-11(7)16)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10H,5H2,(H2,14,15,16,19) |
| InChIKey |
UJNOMTMPZZGIPF-UHFFFAOYSA-N |
| Molecular Weight |
275.282 g/mol |
| SMILES |
N1C(NC(c2cc3OCOc3cc2)C(C1=O)C#N)=S |
| SPLASH |
splash10-002r-1960000000-800c7fcb755239f80f24 |
| Source of Spectrum |
G2-34-2629-4 |
| Synonyms |
4-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
4-(1,3-benzodioxol-5-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile
4-(1,3-benzodioxol-5-yl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile |
| Wiley ID |
1582451 |
