Compound Identification
SMILES
COC1=CC=CC(=C1)N1C(=O)C2=C(N=C1SCC(=O)N1CCC(C)CC1)C1=CC=CC=C1N2
InChIKey
InChIKey=PSOCTIJZQRWZKU-UHFFFAOYSA-N
Formula
C25H26N4O3S
Mass
462.57
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
N-acylpiperidines Methoxyanilines Indoles Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - N-acyl-piperidine - Pyrrolopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Pyrimidone - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organosulfur 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