Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)N(CC#C)CC1=CN=C2N=C(N)N=C(N)C2=C1C
InChIKey
InChIKey=HWTHGASACLWVQR-UHFFFAOYSA-N
Formula
C21H24N6O3
Mass
408.462
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[2,3-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[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Aminopyrimidines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Azacyclic compounds Acetylides Hydrocarbon derivatives Primary amines Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Aralkylamine - Pyridine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary amine - Ether - Acetylide - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - 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