| CAS Number | 1825355-56-3 |
| Catalog Number | AG00ABPT(AGN-PC-0WOGRS) |
| Chemical Name | Ribocil-C |
| IUPAC Name | 2-[1-[(1-pyrimidin-2-ylimidazol-4-yl)methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C21H21N7OS/c29-19-10-17(18-5-2-9-30-18)25-20(26-19)15-4-1-8-27(11-15)12-16-13-28(14-24-16)21-22-6-3-7-23-21/h2-3,5-7,9-10,13-15H,1,4,8,11-12H2,(H,25,26,29) |
| InChI Key | UVDVCDUBJWYRJW-UHFFFAOYSA-N |
| MDL Number | MFCD29472282 |
| Molecular Formula | C21H21N7OS |
| Molecular Weight | 419.5027 |
| SMILES | [C@@H]1(C2NC(=CC(N=2)=O)C2=CC=CS2)CN(CC2=CN(C3N=CC=CN=3)C=N2)CCC1 |
| Synonyms | Ribocil-C Racemate,
Ribocil-C,
1825355-56-3,
(R)-2-(1-((1-(pyrimidin-2-yl)-1H-imidazol-4-yl)methyl)piperidin-3-yl)-6-(thiophen-2-yl)pyrimidin-4-ol,
CS-8049,
HY-19488,
|
| Complexity | 693 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.507g/mol |
| Monoisotopic Mass | 419.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number