Compound Identification
SMILES
COn1c2nc(Nc3cc(C(=O)NCCN4CCCC4)n(C)c3)nc(-c3c(C)cccc3C)c2ccc1=O
InChIKey
InChIKey=WOKDMMVOFCSWDX-UHFFFAOYSA-N
Formula
C28H33N7O3
Mass
515.618
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
Pyrido[2,3-d]pyrimidines m-Xylenes 2-heteroaryl carboxamides Pyrrole carboxamides Aminopyrimidines and derivatives Pyridinones N-alkylpyrrolidines N-methylpyrroles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - 2-heteroaryl carboxamide - M-xylene - Xylene - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aminopyrimidine - Pyridinone - Monocyclic benzene moiety - N-methylpyrrole - Pyridine - Benzenoid - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Lactam - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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