Compound Identification
SMILES
CCN(CC)CCOC1=C(Cl)C=C(Cl)C(=C1)C1=C2C=C(SC2=NC(N)=N1)C(=O)NC(CO)CO
InChIKey
InChIKey=DNTCLAMSRLKKFL-UHFFFAOYSA-N
Formula
C22H27Cl2N5O4S
Mass
528.45
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
Thienopyrimidines Pyrimidinecarboxamides Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrimidinecarboxamide - Thienopyrimidine - 2-heteroaryl carboxamide - Phenol ether - 1,3-dichlorobenzene - Phenoxy compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Alcohol - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Primary alcohol - 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