| CAS Number | 1170919-73-9 |
| Catalog Number | AG00HDST(AGN-PC-0WQYFS) |
| Chemical Name | 5,6-dimethyl-2-[(piperazin-1-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one dihydrochloride |
| IUPAC Name | 5,6-dimethyl-2-(piperazin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one;dihydrochloride |
| InChI | InChI=1S/C13H18N4OS.2ClH/c1-8-9(2)19-13-11(8)12(18)15-10(16-13)7-17-5-3-14-4-6-17;;/h14H,3-7H2,1-2H3,(H,15,16,18);2*1H |
| InChI Key | NCOYFVKILWOWSQ-UHFFFAOYSA-N |
| MDL Number | MFCD08447200 |
| Molecular Formula | C13H20Cl2N4OS |
| Molecular Weight | 351.2951 |
| SMILES | Cl.Cl.CC1=C(C)C2=C(N=C(NC2=O)CN2CCNCC2)S1 |
| Synonyms | 5,6-dimethyl-2-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4(3H)-one dihydrochloride,
1170919-73-9,
5,6-dimethyl-2-(piperazin-1-ylmethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one dihydrochloride,
AC1Q3A71,
CTK7H0165,
MFCD08447200,
AKOS026820616,
NE48273,
EN300-12538,
5,6-Dimethyl-2-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4(3h)-one DiHCl,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.29g/mol |
| Monoisotopic Mass | 350.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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