≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NCC4=CN=CC=C4 |
|---|---|
| IUPAC Name | 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide |
| InChIKey | CTBXWLIBWHUSRD-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N6O3/c1-14-5-4-8-28-19(14)26-20-17(22(28)30)11-16(18(23)27(20)9-10-31-2)21(29)25-13-15-6-3-7-24-12-15/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,25,29) |
| Peso molecular | 418.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Pyridinecarboxylic acids and derivatives Pyrimidones Methylpyridines Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid or derivatives - Methylpyridine - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position. |
| External Descriptors | Not available |
| Peso molecular | 418.400 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 418.175 Da |
| Monoisotopic Mass | 418.175 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 958.000 |
| 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 |
