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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolotriazines
- Subclass Pyrrolo[2,1-f][1,2,4]triazines
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Class
Pyrrolotriazines
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Superclass
Organoheterocyclic compounds
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
1-benzothiophenes Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Substituted pyrroles Imidolactams 1,2,4-triazines Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
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