Compound Identification
SMILES
CC(C)(O)C1=CC=CC(CN2N=NC3=C(N=C(N)N=C23)C2=CC=CC=C2)=N1
InChIKey
InChIKey=XXDKXHMRTBKSFA-UHFFFAOYSA-N
Formula
C19H19N7O
Mass
361.409
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
Triazolopyrimidines Aminopyrimidines and derivatives Pyridines and derivatives Benzene and substituted derivatives Triazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Triazolopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,2,3-triazole - Triazole - Tertiary alcohol - Azole - Heteroaromatic compound - Azacycle - Aromatic alcohol - Hydrocarbon derivative - Amine - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - 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