Compound Identification
SMILES
FC1=C(Cl)C=C(NC2=NC=NC3=CN=C(NC(=O)C#CCN4CCOCC4)C=C23)C=C1
InChIKey
InChIKey=QTRVZMFRXOALDJ-UHFFFAOYSA-N
Formula
C21H18ClFN6O2
Mass
440.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[3,4-d]pyrimidines
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Class
Pyridopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Pyrido[3,4-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[3,4-d]pyrimidines
Alternative Parents
N-arylamides Aniline and substituted anilines Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Aryl chlorides Imidolactams Morpholines Pyridines and derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - N-arylamide - Aniline or substituted anilines - Halobenzene - Aminopyrimidine - Fluorobenzene - Chlorobenzene - Morpholine - Aryl chloride - Aryl fluoride - Oxazinane - Pyridine - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
External Descriptors
Not available