| SpectraBase Spectrum ID |
BCabTxzxZJP |
| Name |
Hydroxythiohomosildenafil TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
592.232172671 u |
| Formula |
C26H40N6O4S2Si |
| InChI |
InChI=1S/C26H40N6O4S2Si/c1-7-9-21-23-24(30(3)29-21)26(37)28-25(27-23)20-18-19(10-11-22(20)35-8-2)38(33,34)32-14-12-31(13-15-32)16-17-36-39(4,5)6/h10-11,18H,7-9,12-17H2,1-6H3,(H,27,28,37) |
| InChIKey |
VCQLLRKCJZQKMQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
592.849 g/mol |
| Nominal Mass |
592 u |
| Quality |
1000 |
| Retention Index |
4615 |
| SMILES |
C12=C(N=C(C=3C(=CC=C(S(N4CCN(CC4)CCO[Si](C)(C)C)(=O)=O)C3)OCC)NC1=S)C(=NN2C)CCC |
| SPLASH |
splash10-000i-6594720000-0259124949b55002414b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-ethoxy-5-((4-(2-((trimethylsilyl)oxy)ethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-\r1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-thione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027364 |
