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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC=C)C |
|---|---|
| IUPAC Name | 5-(3,4-dimethylphenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one |
| InChIKey | FHRJSUUAGIDHJY-UHFFFAOYSA-N |
| INCHI | 1S/C22H20N4O3S/c1-4-10-26-20(23)18(30(28,29)16-9-8-14(2)15(3)12-16)13-17-21(26)24-19-7-5-6-11-25(19)22(17)27/h4-9,11-13,23H,1,10H2,2-3H3 |
| Molecular Weight | 420.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Benzenesulfonyl compounds o-Xylenes Pyrimidones Pyridines and derivatives Imidolactams Vinylogous amides Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Benzenesulfonyl group - Xylene - O-xylene - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Sulfonyl - Sulfone - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 420.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 420.126 Da |
| Monoisotopic Mass | 420.126 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 1070.000 |
| 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 |
![3-(3,4-Dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e:4',3'-f]pyrimidinone , CAS No.850763-17-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)