Compound Identification
SMILES
CC1=CC=C(CN2C(SCC(=O)N[C@@H]3CCN(CC4=CC=CC=C4)C3)=NC3=CC=CC=C3C2=O)C=C1
InChIKey
InChIKey=PRFBMDYIZHMQKF-XMMPIXPASA-N
Formula
C29H30N4O2S
Mass
498.65
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
Benzylamines Phenylmethylamines Alkylarylthioethers Aralkylamines Toluenes Pyrimidones N-alkylpyrrolidines Heteroaromatic compounds Lactams Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Aryl thioether - Benzylamine - Phenylmethylamine - Pyrimidone - Aralkylamine - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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