Compound Identification
SMILES
COC1=C(NC(=O)OCC2COCO2)C=CC(=C1)C1=CN(C2CCOCC2)C2=C1C(N)=NC=N2
InChIKey
InChIKey=YFUUPECVKLYPHD-UHFFFAOYSA-N
Formula
C23H27N5O6
Mass
469.498
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Phenylcarbamic acid esters Pyrrolo[2,3-d]pyrimidines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Primary aromatic amines Oxanes Imidolactams 1,3-dioxolanes Heteroaromatic compounds Carbamate esters Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylcarbamic acid ester - 3-phenylpyrrole - Pyrrolopyrimidine - Methoxyaniline - Pyrrolo[2,3-d]pyrimidine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Aminopyrimidine - Alkyl aryl ether - Primary aromatic amine - Pyrimidine - Benzenoid - Oxane - Monocyclic benzene moiety - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Carbamic acid ester - Oxacycle - Acetal - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available