| SpectraBase Spectrum ID |
8IKGS6ao8jA |
| Name |
Methisosildenafil 2ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
516.251874833 u |
| Formula |
C25H36N6O4S |
| InChI |
InChI=1S/C25H36N6O4S/c1-8-10-20-22-23(30(7)27-20)25(32)29(6)24(26-22)19-13-18(11-12-21(19)35-9-2)36(33,34)31-14-16(3)28(5)17(4)15-31/h11-13,16-17H,8-10,14-15H2,1-7H3 |
| InChIKey |
LRMGYRTWUJCEJE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
516.661 g/mol |
| Nominal Mass |
516 u |
| Quality |
999 |
| Retention Index |
4166 |
| SMILES |
C12=C(N=C(C=3C(=CC=C(S(N4CC(N(C(C4)C)C)C)(=O)=O)C3)OCC)N(C1=O)C)C(=NN2C)CCC |
| SPLASH |
splash10-004i-6920000000-ac8e3a5cccb594b9b4ef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-ethoxy-5-((3,4,5-trimethylpiperazin-1-yl)sulfonyl)phenyl)-1,6-dimethyl-3-propyl-1,6-dihydro-\r7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009934 |
