Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NC(=NC=C1)N1N=CC(C(=O)N2CCN(CC2)C=O)=C1C1CC1
InChIKey
InChIKey=LTJKQDDAGOYXAL-UHFFFAOYSA-N
Formula
C23H24N6O3
Mass
432.484
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Pyrazole-4-carboxamides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Piperazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Anisole - Pyrazole-4-carboxamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic 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