Compound Identification
SMILES
COC1=CC=C(CNC(=O)C2=NC=C3N=CN(CC4=CC(F)=CC=C4)C(=O)C3=C2)C=C1
InChIKey
InChIKey=GWHYYUGLKSZLLD-UHFFFAOYSA-N
Formula
C23H19FN4O3
Mass
418.428
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
Pyridinecarboxylic acids and derivatives Pyrimidinecarboxamides 2-heteroaryl carboxamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Pyrimidones Aryl fluorides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Pyridine carboxylic acid or derivatives - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - 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