Compound Identification
SMILES
CCC(CC)OC(=O)C1=CN(CC2=CC=CC=C2F)C2=CC(=C(CN(C)CCC3=CC=CC=N3)N2C1=O)C1=C(C)OC(C)=C1
InChIKey
InChIKey=GNBMJCQMUSINRS-UHFFFAOYSA-N
Formula
C35H39FN4O4
Mass
598.719
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
Pyrimidinecarboxylic acids Aralkylamines Fluorobenzenes Pyrimidones Pyridines and derivatives Aryl fluorides Substituted pyrroles Vinylogous amides Heteroaromatic compounds Furans Lactams Amino acids and derivatives Carboxylic acid esters Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrrolopyrimidine - Fluorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Substituted pyrrole - Furan - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Lactam - Amino acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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