Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=NN=C(C3=CC=CC=N3)C3=C2C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=PSYHZFILEOSBMA-UHFFFAOYSA-N
Formula
C22H16ClN5O
Mass
401.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyridinylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Phthalazines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aminopyridazines Chlorobenzenes Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinylpyrimidine - Diazanaphthalene - Phthalazine - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aminopyridazine - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Pyridine - Pyridazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Carbonitrile - Nitrile - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available