Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=CN=C(SCC(=O)NC(CC2=CC(Cl)=C(Cl)C=C2)C2CCCNC2)N=C1
InChIKey
InChIKey=KHEBANFGJGWKLK-UHFFFAOYSA-N
Formula
C27H30Cl2N4O3S
Mass
561.52
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
Amphetamines and derivatives Dimethoxybenzenes Anisoles Dichlorobenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Aralkylamines Piperidines Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Sulfenyl compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Amphetamine or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - 1,2-dichlorobenzene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aralkylamine - Piperidine - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Secondary amine - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Thioether - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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