Compound Identification
SMILES
CNC1=NC(C)=C(S1)C1=NC(NC2=C(Cl)C=CC(=C2)C(=O)N2CCN(C)CC2)=NC=C1C#N
InChIKey
InChIKey=NGIUJEJHSLLBCD-UHFFFAOYSA-N
Formula
C22H23ClN8OS
Mass
482.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzoic acids and derivatives
Alternative Parents
4-halobenzoic acids and derivatives Benzamides 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Chlorobenzenes N-methylpiperazines 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Nitriles Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - 1,3-thiazol-2-amine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Nitrile - Carboxylic acid derivative - Carbonitrile - Organic oxide - Cyanide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available