Structure Information
Structure

Compound Identification

SMILES

COCC1=C(CN2CCNCC2)N2N=CN=C(N)C2=C1C1=CC2=C(S1)C(OC)=CC(C)=C2

InChIKey

InChIKey=KBUPLPBZRGPNCS-UHFFFAOYSA-N

Formula

C23H28N6O2S

Mass

452.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolotriazines

Subclass

Pyrrolo[2,1-f][1,2,4]triazines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,1-f][1,2,4]triazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,1-f][1,2,4]triazine - 1-benzothiophene - Benzothiophene - Anisole - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Substituted pyrrole - Piperazine - Triazine - Imidolactam - Benzenoid - 1,2,4-triazine - 1,4-diazinane - Heteroaromatic compound - Pyrrole - Thiophene - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Secondary aliphatic amine - Dialkyl ether - Secondary amine - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring.

External Descriptors

Not available

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