Compound Identification
SMILES
CCN(CC)CCOC1=C(Cl)C=C(Cl)C(=C1)C1=C2C=C(SC2=NC(N)=N1)C(=O)NC(C)(C)C
InChIKey
InChIKey=ILQYMTVDTQGGPD-UHFFFAOYSA-N
Formula
C23H29Cl2N5O2S
Mass
510.48
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 2,3,5-trisubstituted thiophenes Thiophene carboxamides 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
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 - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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