| CAS Number | 479073-87-5 |
| Catalog Number | AG00DFGE(AGN-PC-0RXCQD) |
| Chemical Name | 1,6-Dihydro-1-methyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-7H-pyrazolo[4,3-d]pyrimidine-7-thione |
| IUPAC Name | 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione |
| InChI | InChI=1S/C23H32N6O3S2/c1-5-7-18-20-21(28(4)26-18)23(33)25-22(24-20)17-15-16(8-9-19(17)32-14-6-2)34(30,31)29-12-10-27(3)11-13-29/h8-9,15H,5-7,10-14H2,1-4H3,(H,24,25,33) |
| InChI Key | FKEJNNYWAHHVDX-UHFFFAOYSA-N |
| MDL Number | MFCD18393798 |
| Molecular Formula | C23H32N6O3S2 |
| Molecular Weight | 504.6686 |
| SMILES | S=C1C(N(C)N=C2CCC)=C2N=C(C3=CC(S(=O)(N4CCN(C)CC4)=O)=CC=C3OCCC)N1 |
| UNII | N87G0REJ28 |
| Synonyms | UNII-N87G0REJ28,
N87G0REJ28,
Propoxyphenyl thiosildenafil,
479073-87-5,
SCHEMBL6716951,
FKEJNNYWAHHVDX-UHFFFAOYSA-N,
1-methyl-5-[5-(4-methylpiperazine-1-sulfonyl)-2-propoxyphenyl]-3-propyl-1,6-dihydropyrazolo[4,3-d]pyrimidine-7-thione,
7H-Pyrazolo(4,3-d)pyrimidine-7-thione, 1,6-dihydro-1-methyl-5-(5-((4-methyl-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-3-propyl-,
CID10300865,
CID 10300865,
|
| Complexity | 855 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.668g/mol |
| Monoisotopic Mass | 504.198g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number