Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Quinazolines

Direct Parent

Perimidines

Alternative Parents

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

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