Compound Identification
SMILES
NC1=CC(NC2=NC=CC(=N2)C2=CC=C(NC(=O)C(N3CCSCC3)C3=CC=CC=C3)C=C2)=CC=C1
InChIKey
InChIKey=WMCUDJGKELAYHO-UHFFFAOYSA-N
Formula
C28H28N6OS
Mass
496.63
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
Alpha amino acid amides Phenylacetamides Anilides Aniline and substituted anilines N-arylamides Aminopyrimidines and derivatives Aralkylamines Thiomorpholines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 4-phenylpyrimidine - Alpha-amino acid or derivatives - Phenylacetamide - Anilide - Aniline or substituted anilines - N-arylamide - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - 1,4-thiazinane - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Thioether - Dialkylthioether - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen 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