| CAS Number | 1909316-25-1 |
| Catalog Number | AG01B2C7 |
| Chemical Name | methyl 5-amino-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate |
| IUPAC Name | methyl 5-amino-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C10H11N3O4S/c1-12-7(14)4-5(11)6(9(15)17-3)18-8(4)13(2)10(12)16/h11H2,1-3H3 |
| InChI Key | NAFGFJDDAMPKCT-UHFFFAOYSA-N |
| MDL Number | MFCD29907383 |
| Molecular Formula | C10H11N3O4S |
| Molecular Weight | 269.277 |
| SMILES | COC(C1=C(N)C2=C(N(C(N(C2=O)C)=O)C)S1)=O |
| Synonyms | methyl 5-amino-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate,
1909316-25-1,
AKOS033927451,
ZINC334163846,
Z2489418725,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.275g/mol |
| Monoisotopic Mass | 269.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number