Compound Identification
SMILES
CCOC1=CC2=C(NC=C2CCNC2=NC=C(C(N)=N2)C2=CC3=C(C=C2)N(C)C(C)=N3)C=C1
InChIKey
InChIKey=INOFJVCEIPRMJQ-UHFFFAOYSA-N
Formula
C25H27N7O
Mass
441.539
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
3-alkylindoles Benzimidazoles Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 3-alkylindole - Benzimidazole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Imidazole - Azole - Pyrrole - Azacycle - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary 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