Compound Identification
SMILES
CN(C)CCCOC1=CC=C(C=C1)C1=CC(NC2=NNC(C)=C2)=NC(SC2=CC=C(NC(C)=O)C=C2)=N1
InChIKey
InChIKey=PPKYLKQWCYTYOP-UHFFFAOYSA-N
Formula
C27H31N7O2S
Mass
517.65
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
Diarylthioethers Acetanilides N-acetylarylamines Thiophenol ethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Acetamides Pyrazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Diarylthioether - Acetanilide - Anilide - N-acetylarylamine - Aryl thioether - Phenoxy compound - N-arylamide - Phenol ether - Thiophenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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