Compound Identification
SMILES
ClC1=CC2=C(C=C1)N=C(NC1=[NH+]C[NH+](CC[NH+]3CCOCC3)CN1)N=C2C1=CC=CC=C1
InChIKey
InChIKey=ASOLKTASORJPFO-UHFFFAOYSA-Q
Formula
C23H29ClN7O
Mass
454.98
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
Quinazolinamines Aminopyrimidines and derivatives Aminotriazines 1,3,5-triazines Morpholines Aryl chlorides Benzene and substituted derivatives Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Guanidines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carboximidamides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Aminopyrimidine - Aminotriazine - Oxazinane - Aryl chloride - Aryl halide - Triazine - Morpholine - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Guanidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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