| CAS Number | 1033743-25-7 |
| Catalog Number | AG019ESW(AGN-PC-0WG3PT) |
| Chemical Name | 2-[2-chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]propan-2-ol |
| IUPAC Name | 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-ol |
| InChI | InChI=1S/C13H16ClN3O2S/c1-13(2,18)9-7-8-10(20-9)11(16-12(14)15-8)17-3-5-19-6-4-17/h7,18H,3-6H2,1-2H3 |
| InChI Key | SQKSAJKVFRFSPG-UHFFFAOYSA-N |
| MDL Number | MFCD28966046 |
| Molecular Formula | C13H16ClN3O2S |
| Molecular Weight | 313.8030 |
| SMILES | CC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1 |
| Synonyms | 2-(2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol,
1033743-25-7,
SCHEMBL1285174,
SQKSAJKVFRFSPG-UHFFFAOYSA-N,
MFCD28966046,
ZINC115747055,
CS-0036836,
FT-0715059,
2-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl)-propan-2-ol,
2-(2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol(WXC06472),
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.8g/mol |
| Monoisotopic Mass | 313.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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