Compound Identification
SMILES
CC1=C2N=C(C=C(NCCCCNC(=O)C3=CNC4=CC=CC=C34)N2N=C1)C1=CC=CC=C1N
InChIKey
InChIKey=GVLHBDHGRWJJBV-UHFFFAOYSA-N
Formula
C26H27N7O
Mass
453.55
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
Indolecarboxamides and derivatives Pyrazolo[1,5-a]pyrimidines Indoles Aniline and substituted anilines Pyrrole carboxamides Aminopyrimidines and derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Pyrazoles Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxamide derivative - Indolecarboxylic acid derivative - 4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Indole - Indole or derivatives - Pyrazolopyrimidine - Aniline or substituted anilines - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Amine - 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