| CAS Number | 2032665-26-0 |
| Catalog Number | AG01DZ8Z |
| Chemical Name | 2-[(piperazin-1-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one dihydrochloride |
| IUPAC Name | 2-(piperazin-1-ylmethyl)-4aH-thieno[3,2-d]pyrimidin-4-one;dihydrochloride |
| InChI | InChI=1S/C11H14N4OS.2ClH/c16-11-10-8(1-6-17-10)13-9(14-11)7-15-4-2-12-3-5-15;;/h1,6,10,12H,2-5,7H2;2*1H |
| InChI Key | VGCIYCGQQZMICN-UHFFFAOYSA-N |
| MDL Number | MFCD31666824 |
| Molecular Formula | C11H16Cl2N4OS |
| Molecular Weight | 323.2419 |
| SMILES | Cl.Cl.O=C1C2=C(C=CS2)N=C(CN2CCNCC2)N1 |
| Synonyms | 2-[(piperazin-1-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one dihydrochloride,
2032665-26-0,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.236g/mol |
| Monoisotopic Mass | 322.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number