SpectraBase Spectrum ID |
7GCwIA8OvWe |
Name |
2-N-Hexylamino-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 |
C25H25N3OS2 |
InChI |
InChI=1S/C25H25N3OS2/c1-2-3-4-11-16-26-25-27-22-21(23(29)28(25)19-14-9-6-10-15-19)17-20(24(30)31-22)18-12-7-5-8-13-18/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,26,27) |
InChIKey |
FNTDDGGOANHBAL-UHFFFAOYSA-N |
Molecular Weight |
447.615 g/mol |
SMILES |
N(C=1N(C(C2=C(N1)SC(C(=C2)c1ccccc1)=S)=O)c1ccccc1)CCCCCC |
SPLASH |
splash10-0002-0000900000-8e47abb162b3a4140dc6 |
Source of Spectrum |
Y-49-392-15c |
Wiley ID |
1706532 |