Compound Identification
SMILES
COC1=CC(C)=CC2=C1SC(=C2)C1=C2N(N=CN=C2N)C(CN2CCN(CC2)C(C)=O)=C1COCC(N)=O
InChIKey
InChIKey=PWCAKZTVOPLZPY-UHFFFAOYSA-N
Formula
C26H31N7O4S
Mass
537.64
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 2,3,5-trisubstituted thiophenes Anisoles N-alkylpiperazines Alkyl aryl ethers Aralkylamines Substituted pyrroles 1,2,4-triazines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-f][1,2,4]triazine - Benzothiophene - 1-benzothiophene - Anisole - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - 1,2,4-triazine - Substituted pyrrole - Imidolactam - Benzenoid - Triazine - Heteroaromatic compound - Pyrrole - Acetamide - Tertiary carboxylic acid amide - Thiophene - Tertiary aliphatic amine - Primary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - 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