| CAS Number | 1315367-24-8 |
| Catalog Number | AG01AJ36(AGN-PC-0WO7JZ) |
| Chemical Name | 1-methyl-3-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 1-methyl-3-methylsulfanyl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C7H8N4OS/c1-11-5-4(7(10-11)13-2)6(12)9-3-8-5/h3H,1-2H3,(H,8,9,12) |
| InChI Key | ANLUMRRYKKCVLA-UHFFFAOYSA-N |
| MDL Number | MFCD19382038 |
| Molecular Formula | C7H8N4OS |
| Molecular Weight | 196.2296 |
| SMILES | CSC1C2=C(N=CNC2=O)N(C)N=1 |
| Synonyms | 1-methyl-3-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one,
1315367-24-8,
1-Methyl-3-(methylthio)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
ZINC68593694,
AKOS023166325,
ZINC101147371,
MCULE-4162737420,
NE48953,
EN300-79651,
Z1259155913,
1-methyl-3-(methylsulfanyl)-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.041882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.23g/mol |
| Monoisotopic Mass | 196.041882g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number