Compound Identification
SMILES
CC1=C(C=CC2=C1CC[C@@H]2NC(=O)C1=CC(=NC2=NC=NN12)C(=O)NCC1=CC=C(C=C1)C#N)C(=O)OCC=C
InChIKey
InChIKey=SQPUVENOJSIVLP-QHCPKHFHSA-N
Formula
C29H25N7O4
Mass
535.564
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrimidinecarboxylic acids and derivatives Indanes Benzonitriles 2-heteroaryl carboxamides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indane - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - 2-heteroaryl carboxamide - Benzonitrile - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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