PyrazoleN-demethylsildenafil

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Systematic / IUPAC Name: 5-{2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

ID: Reference944

Other Names: 5-{2-Ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one;
Pyrazole N-demethyl sildenafil;
Pyrazole N-desmethyl sildenafil ;
1-{[3-(4,7-Dihydroxy-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methyl-piperazine

Formula: C21H28N6O4S

Class: Counterfeit Drug (Therapeutic)

Spectral Data

PyrazoleN-demethylsildenafil mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 194
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/13/2016 1:07:40 PM
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Identificators

InChI InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(25-24-16)21(28)23-20(22-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-26(3)10-12-27/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,25)(H,22,23,28)
InChI Key ZLJVUHMTFSCAGQ-UHFFFAOYSA-N
Canonical SMILES
CAS 139755956
Splash
Other Names 5-{2-Ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one;
Pyrazole N-demethyl sildenafil;
Pyrazole N-desmethyl sildenafil ;
1-{[3-(4,7-Dihydroxy-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methyl-piperazine

In Other Databases

ChEMBL CHEMBL2016884
PubChem 10072962
ChemSpider 8248502