Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C)=CC2=C1SC(=C2)C1=C2N(N=CN=C2N)C(=C1CO)C(C)(C)O

InChIKey

InChIKey=LBNJJAOYBCVITR-UHFFFAOYSA-N

Formula

C20H22N4O3S

Mass

398.48

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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 - Substituted pyrrole - 1,2,4-triazine - Imidolactam - Benzenoid - Triazine - Heteroaromatic compound - Pyrrole - Tertiary alcohol - Thiophene - Ether - Azacycle - Organic nitrogen compound - Primary amine - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic alcohol - 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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