Compound Identification
SMILES
CC1=CC(NC2=NC(NC3=CC(N)=C(Cl)C=C3)=NC=C2C(N)=O)=CC=C1
InChIKey
InChIKey=FGRNPYKHGBVSFN-UHFFFAOYSA-N
Formula
C18H17ClN6O
Mass
368.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxamides
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Level 5
Pyrimidinecarboxylic acids and derivatives
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxamides
Alternative Parents
Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Primary carboxylic acid amides Secondary amines Azacyclic compounds Primary amines Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidinecarboxamide - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
External Descriptors
Not available