Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(CC1=CSC(C)=N1)N(C2=O)C1=CC=C(C=C1)C(O)(C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=DXGMJTKUVGAZTC-UHFFFAOYSA-N
Formula
C23H17F6N3O3S
Mass
529.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Anisoles Pyrimidones 2,4-disubstituted thiazoles Alkyl aryl ethers Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Lactams Fluorohydrins Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Anisole - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary alcohol - Fluorohydrin - Halohydrin - Lactam - Azacycle - Ether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alkyl halide - Alcohol - Aromatic alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors
Not available