Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)[C@@H]1C[C@@H](N2NC=C(C([O-])=O)C2=N1)C(F)(F)F

InChIKey

InChIKey=OBGAOJDDNJFYOI-GXFFZTMASA-M

Formula

C17H17F3N3O5

Mass

400.335

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrazolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Hydropyrimidine - Benzenoid - Imidolactam - Pyrazoline - Pyrazole - Vinylogous amide - Carboxylic acid amidrazone - Carboxylic acid salt - Amidine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.

External Descriptors

Not available

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