| SpectraBase Spectrum ID |
KTY9fZgCR2E |
| Name |
(Z)-8-[1',2'-bis(4-Chlorophenyl)ethenyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.080681234 u |
| Formula |
C22H18Cl2N4O2 |
| InChI |
InChI=1S/C22H18Cl2N4O2/c1-26-18-20(27(2)22(30)28(3)21(18)29)25-19(26)17(14-6-10-16(24)11-7-14)12-13-4-8-15(23)9-5-13/h4-12H,1-3H3/b17-12- |
| InChIKey |
YWJJCMZVASWOQC-ATVHPVEESA-N |
| Molecular Weight |
441.318 g/mol |
| SMILES |
C12=C(N(C)C(N(C2=O)C)=O)N=C(N1C)\C(=C/C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl |
![(Z)-8-[1',2'-bis(4-chlorophenyl)ethenyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione](/api/spectrum/KTY9fZgCR2E/structure.png?h=300&w=458 "(Z)-8-[1',2'-bis(4-chlorophenyl)ethenyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione")
