Compound Identification
SMILES
O=C(NC1=NC2=C(CC(CC2)N2CCOCC2)S1)C1=CC(CC2=NC=C(C=N2)C2=CC=CC(=C2)C#N)=CC=C1
InChIKey
InChIKey=HUGZBBKSEKFOFA-UHFFFAOYSA-N
Formula
C30H28N6O2S
Mass
536.65
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
Benzamides Benzonitriles Benzoyl derivatives Aralkylamines Morpholines Thiazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Oxazinane - Morpholine - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organooxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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