| CAS Number | 877825-77-9 |
| Catalog Number | AG00GUEF |
| Chemical Name | 4-Methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15) |
| InChI Key | WEWPTOYLCJSCJK-UHFFFAOYSA-N |
| MDL Number | MFCD07847859 |
| Molecular Formula | C11H12N2O4S |
| Molecular Weight | 268.2890 |
| SMILES | O=C(C1=C(C)C2=C(OC)N=C(COC)N=C2S1)O |
| Synonyms | 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid,
877825-77-9,
AC1PK8QU,
AC1Q4FLK,
CTK7B2779,
HMS1776E11,
ZINC7978562,
AKOS027427180,
MCULE-4109509760,
NE33536,
EN300-23774,
J-515622,
Z168883398,
CID9106586,
CID 9106586,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.287g/mol |
| Monoisotopic Mass | 268.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number