Compound Identification
SMILES
CC1=NC2=C(C=C(\C=C3/SC(=O)NC3=O)C=C2)C(=N1)C1=CC(Cl)=C(C=C1)N1CCN(CCO)CC1
InChIKey
InChIKey=IRXZKNLZQXNNRD-XKZIYDEJSA-N
Formula
C25H24ClN5O3S
Mass
510.01
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
Phenylpiperazines N-arylpiperazines Quinazolines Aniline and substituted anilines Dialkylarylamines Thiazolidinediones N-alkylpiperazines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Dicarboximides Trialkylamines Thiocarbamic acid derivatives 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 4-phenylpyrimidine - N-arylpiperazine - Quinazoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Thiazolidinedione - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperazine - Benzenoid - Heteroaromatic compound - Dicarboximide - Thiazolidine - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary amine - Thiocarbamic acid derivative - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Alkanolamine - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Primary alcohol - Organic oxide - 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