Compound Identification
SMILES
FC1=C(Cl)C=C(NC2=NC=NC3=C2CC(=O)N3)C=C1
InChIKey
InChIKey=ZUZMVACUXKYXTJ-UHFFFAOYSA-N
Formula
C12H8ClFN4O
Mass
278.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Secondary amines Organic oxides Organochlorides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Aniline or substituted anilines - Chlorobenzene - Aminopyrimidine - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl chloride - Aryl fluoride - Benzenoid - Imidolactam - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Secondary amine - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. 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