Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O.CCOC(=O)C[N+]1=C(C)N(N)C2=CC=CC3=C2C1=CC=C3
InChIKey
InChIKey=TZSMSVMDZKDJKO-UHFFFAOYSA-M
Formula
C25H29N3O5S
Mass
483.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Perimidines
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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
Quinazolines
Direct Parent
Perimidines
Alternative Parents
Alpha amino acid esters p-Methylbenzenesulfonates Naphthalenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyrimidines and pyrimidine derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Perimidine - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as perimidines. These are organic compounds containing a benzene ring fused to a quinazoline ring system. They are analogues of phenalenes where two carbon atoms in exactly one ring are replaced by nitrogen atoms to form a pyrimidine.
External Descriptors
Not available