| CAS Number | 958785-70-1 |
| Catalog Number | AG01A4U5(AGN-PC-0WO5TW) |
| Chemical Name | 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2S/c1-3-4-6(9)10-2-11-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H2,9,10,11) |
| InChI Key | NRCXTNUAVDXQLF-UHFFFAOYSA-N |
| MDL Number | MFCD19669104 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| NSC Number | 723571 |
| SMILES | CC1C2=C(N=CN=C2N)SC=1C(O)=O |
| Synonyms | 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid,
958785-70-1,
NSC723571,
AC1L8PQK,
CTK7J1405,
ZINC5930505,
AKOS013500104,
MCULE-7820089636,
NSC-723571,
CS-0068911,
Z1815149175,
4-Amino-5-methyltheino[2,3-d]pyrimidin-6-carboxylic acid,
CID405890,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.223g/mol |
| Monoisotopic Mass | 209.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number