Compound Identification
SMILES
COC1=C(C)C(CN2CC(=O)C3=C2N=C(N)N=C3Cl)=C[N+]([O-])=C1C
InChIKey
InChIKey=FFDKWKXBSCDZTF-UHFFFAOYSA-N
Formula
C15H16ClN5O3
Mass
349.78
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
Aryl alkyl ketones Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Methylpyridines Aryl chlorides Imidolactams Pyridinium derivatives Heteroaromatic compounds Vinylogous halides Vinylogous amides Pyrroles Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Dialkylarylamine - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrrole - Ketone - Azacycle - Ether - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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