| SpectraBase Spectrum ID |
KIvkPP3CndT |
| Name |
8-(4-Ethyl-1-piperazinyl)-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.211741354 u |
| Formula |
C22H28N10O2S |
| InChI |
InChI=1S/C22H28N10O2S/c1-4-29-10-12-30(13-11-29)20-23-18-17(19(33)28(3)22(34)27(18)2)31(20)14-15-35-21-24-25-26-32(21)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3 |
| InChIKey |
HZJROAKXRAQFLM-UHFFFAOYSA-N |
| Molecular Weight |
496.594 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CCSC=2N(N=NN2)C2=CC=CC=C2)C(=N1)N1CCN(CC1)CC |
![8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/KIvkPP3CndT/structure.png?h=300&w=458 "8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione")
