| SpectraBase Spectrum ID |
70cNXRUMsw2 |
| Name |
2-Dimethylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-D]pyrimidine-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.081304526 u |
| Formula |
C21H17N3OS2 |
| InChI |
InChI=1S/C21H17N3OS2/c1-23(2)21-22-18-17(19(25)24(21)15-11-7-4-8-12-15)13-16(20(26)27-18)14-9-5-3-6-10-14/h3-13H,1-2H3 |
| InChIKey |
ZWTJFVONYPMXJY-UHFFFAOYSA-N |
| Molecular Weight |
391.507 g/mol |
| SMILES |
C1(=NC=2SC(=S)C(=CC2C(N1C=1C=CC=CC1)=O)C1=CC=CC=C1)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800273 |
![2-Dimethylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one](/api/spectrum/70cNXRUMsw2/structure.png?h=300&w=458 "2-Dimethylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one")
