Compound Identification
SMILES
CN(C)C1=NC(=NC(=C1)C(=O)N1CCN(CC1)C(=O)NCC1=CC=C(Cl)C=C1)N(C)C
InChIKey
InChIKey=ANAQQNJXFXMYES-UHFFFAOYSA-N
Formula
C21H28ClN7O2
Mass
445.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
Piperazine carboxamides 2-heteroaryl carboxamides Dialkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxamide - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Dialkylarylamine - Chlorobenzene - Aminopyrimidine - Halobenzene - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Benzenoid - Piperazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available