| CAS Number | 1220646-23-0 |
| Catalog Number | AG01EODN(AGN-PC-3H46C2) |
| Chemical Name | AVN-492 |
| IUPAC Name | 3-(benzenesulfonyl)-2-N,6-N,6-N,5,7-pentamethylpyrazolo[1,5-a]pyrimidine-2,6-diamine |
| InChI | InChI=1S/C17H21N5O2S/c1-11-14(21(4)5)12(2)22-17(19-11)15(16(18-3)20-22)25(23,24)13-9-7-6-8-10-13/h6-10H,1-5H3,(H,18,20) |
| InChI Key | SNPPEHMSSOEYDH-UHFFFAOYSA-N |
| MDL Number | MFCD31544338 |
| Molecular Formula | C17H21N5O2S |
| Molecular Weight | 359.4459 |
| SMILES | CNC1=NN2C(N=C(C(=C2C)N(C)C)C)=C1S(=O)(=O)C1=CC=CC=C1 |
| Synonyms | 3-benzenesulfonyl-5,7,N2,N6,N6-pentamethyl-pyrazolo (1,5-a) pyrimidine-2,6-diamine,
AVN-492,
AVN-492,
1220646-23-0,
CHEMBL1922632,
SCHEMBL12427078,
AVN 492,
BCP23511,
CS-7581,
HY-101924,
|
| Complexity | 558 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.448g/mol |
| Monoisotopic Mass | 359.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number