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
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 Alkyl aryl ethers Aralkylamines N-alkylpiperazines 1,2,4-triazines Imidolactams Substituted pyrroles Heteroaromatic compounds Trialkylamines Dialkylamines Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
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