Compound Identification
SMILES
COC1=C(OC)C=C(CCNC2=NC=C(Cl)C(=N2)C(=O)C(C#N)C2=NC3=CC=CC=C3N2C)C=C1
InChIKey
InChIKey=SAEXXIXXVFLDGU-UHFFFAOYSA-N
Formula
C25H23ClN6O3
Mass
490.95
Taxonomic Classification
Taxonomy Tree
-
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
Benzimidazoles Anisoles Phenoxy compounds Aryl alkyl ketones Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous halides Azacyclic compounds Nitriles Amines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - N-substituted imidazole - Aryl chloride - Aryl halide - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Vinylogous halide - Ketone - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - 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