Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC(=NC=C1)C1=CC2=C(N1)C=CC(OC1CCOC1=O)=C2
InChIKey
InChIKey=ULWYINUMSLQCPM-UHFFFAOYSA-N
Formula
C24H21N3O5
Mass
431.448
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
Dimethoxybenzenes Indoles Phenoxy compounds Anisoles Alkyl aryl ethers Substituted pyrroles Gamma butyrolactones Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Gamma butyrolactone - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Oxolane - Pyrrole - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - 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