Compound Identification
SMILES
CCCCN1C(=NC(=O)C2=CC3=C(OCO3)C=C2)C(=CC2=C1N=C1N(C=CC=C1C)C2=O)C#N
InChIKey
InChIKey=UTNRNTSOUAOTMB-UHFFFAOYSA-N
Formula
C25H21N5O4
Mass
455.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[2,3-d]pyrimidines
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Class
Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
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
Benzodioxoles Pyrimidones Methylpyridines Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Oxacyclic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Benzodioxole - Pyrimidone - Methylpyridine - Pyridine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Acetal - Nitrile - Carbonitrile - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - 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