Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolopyrimidines

Alternative Parents

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

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