| SpectraBase Spectrum ID |
LHtMCxYnTHP |
| Name |
2-N-Octylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H29N3OS2 |
| InChI |
InChI=1S/C27H29N3OS2/c1-2-3-4-5-6-13-18-28-27-29-24-23(25(31)30(27)21-16-11-8-12-17-21)19-22(26(32)33-24)20-14-9-7-10-15-20/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,28,29) |
| InChIKey |
ZAVNZPFYAJETAG-UHFFFAOYSA-N |
| Molecular Weight |
475.669 g/mol |
| SMILES |
N(C=1N(C(C2=C(N1)SC(C(=C2)c1ccccc1)=S)=O)c1ccccc1)CCCCCCCC |
| SPLASH |
splash10-004i-0000900000-33a60d453a903152e619 |
| Source of Spectrum |
Y-49-392-15d |
| Wiley ID |
1706531 |
![2-N-Octylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one](/api/spectrum/LHtMCxYnTHP/structure.png?h=300&w=458 "2-N-Octylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one")
