Compound Identification
SMILES
COC1=NC(CN2CC(=O)C3=C2N=C(N)N=C3Cl)=C(Br)C(OC)=C1OC
InChIKey
InChIKey=HZDLBMDASAJJOJ-UHFFFAOYSA-N
Formula
C15H15BrClN5O4
Mass
444.67
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
6-substituted-2-pyridinylmethylamines Aryl alkyl ketones Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Aryl bromides Aryl chlorides Imidolactams Vinylogous halides Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Aryl bromide - Aryl chloride - Imidolactam - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrrole - Ketone - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - 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