Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.O[C@H](CN1C=CN=C1)CN1N=CC2=C1CCC1=C2SC2=NC=NC(NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3)=C12

InChIKey

InChIKey=QODOLTAOLDNYRV-ZMBIFBSDSA-N

Formula

C32H26ClF4N7O4S

Mass

716.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Imidolactam - Benzenoid - Thiophene - Alpha-halocarboxylic acid or derivatives - Pyrazole - Azole - Alpha-halocarboxylic acid - Heteroaromatic compound - Imidazole - Secondary alcohol - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alcohol - Organooxygen compound - Organochloride - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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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