Compound Identification
SMILES
CCN(C(C)=O)C1=CC=CC(=C1)C1=[N+]2NC=C(C#N)C2=NC=C1
InChIKey
InChIKey=HUNXMJYCHXQEGX-UHFFFAOYSA-O
Formula
C17H16N5O
Mass
306.348
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 Phenylpyrimidines
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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
Phenylpyrimidines
Alternative Parents
Acetanilides Pyrazolo[1,5-a]pyrimidines Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Acetamides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Acetanilide - Pyrazolo[1,5-a]pyrimidine - Anilide - Pyrazolopyrimidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available