Compound Identification
SMILES
NC1=NC(=O)C(CC(CNC2=CC=C(\C=C\C(=O)CCl)C=C2)C=O)=C(N)N1
InChIKey
InChIKey=MGYPSOHHDYTDQA-ZZXKWVIFSA-N
Formula
C18H20ClN5O3
Mass
389.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Aniline and substituted anilines Styrenes Phenylalkylamines Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Hydropyrimidines Heteroaromatic compounds Enones Vinylogous amides Acryloyl compounds Alpha-chloroketones Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes Primary amines Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Aniline or substituted anilines - Phenylalkylamine - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Hydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Alpha-chloroketone - Enone - Heteroaromatic compound - Alpha-haloketone - Vinylogous amide - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aldehyde - Carbonyl group - Alkyl chloride - Hydrocarbon derivative - Amine - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available