Compound Identification
SMILES
COC1=CC=CC(=C1)N1C2=NN=C(SCC(=O)NC3=CC=CC=C3Cl)N2C2=C(C1=O)C1(CCCCC1)CC1=CC=CC=C21
InChIKey
InChIKey=VJQIMCXRJIDERD-UHFFFAOYSA-N
Formula
C33H30ClN5O3S
Mass
612.15
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
Naphthalenes Anilides Triazolopyrimidines Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Vinylogous amides Triazoles Lactams Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Naphthalene - Triazolopyrimidine - Anilide - Methoxyaniline - Methoxybenzene - N-arylamide - Phenoxy compound - Phenol ether - Anisole - Aryl thioether - Chlorobenzene - Pyrimidone - Halobenzene - Alkylarylthioether - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Aryl chloride - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Triazole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Thioether - Carboxylic acid derivative - Azacycle - Ether - Sulfenyl compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organochloride - Organosulfur compound - Organohalogen 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