Compound Identification
SMILES
CC1=C(C=CC(CNC(=O)C2=NC3=C(N=NN3C(=C2)C(=O)NCC2=CC(CNC3=C(N)C(=O)C3=O)=C(F)C=C2)C(N)=O)=C1)C(O)=O
InChIKey
InChIKey=OBIJGNPSEGJECY-UHFFFAOYSA-N
Formula
C29H24FN9O7
Mass
629.565
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
Benzoic acids Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Benzylamines Phenylmethylamines Toluenes Secondary alkylarylamines Fluorobenzenes Aralkylamines Aryl fluorides Triazoles Heteroaromatic compounds Vinylogous amides Primary carboxylic acid amides Secondary carboxylic acid amides Cyclic ketones Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Primary amines Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Benzoic acid or derivatives - Benzoic acid - 2-heteroaryl carboxamide - Phenylmethylamine - Benzylamine - Benzoyl - Halobenzene - Secondary aliphatic/aromatic amine - Fluorobenzene - Toluene - Aralkylamine - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - 1,2,3-triazole - Triazole - Azole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - 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