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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CSC(=N3)C)C4=CC=CC=C4)C |
|---|---|
| IUPAC Name | 5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one |
| InChIKey | TYRDUMWECBEPME-UHFFFAOYSA-N |
| INCHI | 1S/C19H17N3OS3/c1-11-12(2)26-17-16(11)18(23)22(15-7-5-4-6-8-15)19(21-17)25-10-14-9-24-13(3)20-14/h4-9H,10H2,1-3H3 |
| Peso molecular | 399.6 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Pyrimidones Alkylarylthioethers 2,4-disubstituted thiazoles Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thiophene - Lactam - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 399.600 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 399.053 Da |
| Monoisotopic Mass | 399.053 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 566.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5,6-dimethyl-2-(((2-methylthiazol-4-yl)methyl)thio)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one , CAS No.667913-55-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)