Compound Identification
SMILES
FC1=CC=C(C=C1)C1NC(=O)N(CC=C)C2=C1C(=O)N(CCN1CCOCC1)C2
InChIKey
InChIKey=HWZCOYWCMBYWHL-UHFFFAOYSA-N
Formula
C21H25FN4O3
Mass
400.454
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
Fluorobenzenes Pyrimidones Aryl fluorides Hydropyrimidines Morpholines Vinylogous amides Pyrrolines Tertiary carboxylic acid amides Ureas Lactams Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Halobenzene - Pyrimidone - Fluorobenzene - Morpholine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Oxazinane - Pyrimidine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous amide - Pyrroline - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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