Compound Identification
SMILES
Cl.O=C(NCCN1CCOCC1)C1=CC=C(N1)C=C1C(=O)NC2=C1C(NC1=CC=CC(=C1)C#C)=NC=N2
InChIKey
InChIKey=BRBDFETWAZWINH-UHFFFAOYSA-N
Formula
C26H26ClN7O3
Mass
519.99
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
Pyrrole carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Aminopyrimidines and derivatives Substituted pyrroles Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Oxacyclic compounds Acetylides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Substituted pyrrole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Acetylide - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - 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