Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=NC(CC3=C(O)CC(CCC4=CC(CC(F)(F)F)=C(O)C=C4)(OC3=O)C3CCCC3)=NN2C(=C1)C1CC1

InChIKey

InChIKey=LNPXAQJMKIMCRN-UHFFFAOYSA-N

Formula

C30H33F3N4O4

Mass

570.613

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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

Triazolopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dihydropyranone - Benzenoid - Pyrimidine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2,4-triazole - Triazole - Azole - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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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