Compound Identification
SMILES
CN1C2=C(C(NC1=O)C1=CC=CC=C1F)C(=O)N(CC1=CC3=C(OCO3)C=C1)C2
InChIKey
InChIKey=XQBZHRSXONBCTC-UHFFFAOYSA-N
Formula
C21H18FN3O4
Mass
395.39
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
Benzodioxoles Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Ureas Lactams Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Benzodioxole - Pyrimidone - Halobenzene - Fluorobenzene - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Pyrimidine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrroline - Vinylogous amide - Urea - Lactam - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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