Compound Identification
SMILES
COC1=C(OC)C=C2C3=NC(=O)C(C(C)C)N3C(SCC3=CC=C(C=C3)C(F)(F)F)=NC2=C1
InChIKey
InChIKey=BWXTXICDHNIUFK-UHFFFAOYSA-N
Formula
C23H22F3N3O3S
Mass
477.5
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
Trifluoromethylbenzenes Alpha amino acids and derivatives Anisoles Alkyl aryl ethers Imidazolinones N-acylimines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Trifluoromethylbenzene - Quinazoline - Anisole - Phenol ether - Alkyl aryl ether - Imidazolinone - Monocyclic benzene moiety - Benzenoid - 2-imidazoline - Isothiourea - N-acylimine - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Azacycle - Amidine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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