| SpectraBase Spectrum ID |
2nai12Wmcam |
| Name |
Dithiodesmethylcarbodenafil |
| CAS Registry Number |
1333233-46-7 |
| Classification |
Sildenafil analog |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
470.192251957 u |
| Formula |
C23H30N6OS2 |
| InChI |
InChI=1S/C23H30N6OS2/c1-5-7-17-19-20(28(4)26-17)22(31)25-21(24-19)16-14-15(8-9-18(16)30-6-2)23(32)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,31) |
| InChIKey |
HGBHSRKRWPQIHK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
470.654 g/mol |
| Nominal Mass |
470 u |
| Quality |
900 |
| Retention Index |
3811 |
| SMILES |
C12=C(N=C(C=3C(=CC=C(C3)C(N3CCN(CC3)C)=S)OCC)NC2=S)C(=NN1C)CCC |
| SPLASH |
splash10-00di-9336200000-04068770994d8217d84a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dithio-Desmethyl Carbodenafil
5-(2-Ethoxy-5-[(4-methyl-1-piperazinyl)carbonothioyl]phenyl)-1-methyl-3-propyl-\r1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-thione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023502 |
