Compound Identification
SMILES
COC1=CC(OC)=CC(NC2=C(C(N)=O)C3=NC=CN3C(NCC3CCCN(C3)C(=O)C(=C/C3CC3)\C#N)=N2)=C1
InChIKey
InChIKey=NKLJAQCDKBUTRA-GRSHGNNSSA-N
Formula
C28H32N8O4
Mass
544.616
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Imidazopyrimidines Methoxyanilines Pyrimidinecarboxamides N-acylpiperidines Anisoles Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Nitriles Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - M-dimethoxybenzene - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidinecarboxamide - Methoxyaniline - N-acyl-piperidine - Imidazopyrimidine - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Anisole - Alkyl aryl ether - Aminopyrimidine - Imidolactam - N-substituted imidazole - Pyrimidine - Piperidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available