Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=NC(=O)C2=C(N1)C=CC(\C=C\CNC1=NC=C(Cl)C=C1)=C2)C(O)=O
InChIKey
InChIKey=LLHJEYUNLBZTDJ-ZZTDINLMSA-N
Formula
C26H24ClN5O6S
Mass
570.02
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
Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Aminopyridines and derivatives Organosulfonamides Imidolactams Aryl chlorides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organochlorides Organic oxides Amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonamide - Quinazoline - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Aminopyridine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organochloride - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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