Compound Identification
SMILES
COC1=CC=CC(C=C2SC(N(C2=O)C2=CC=CC=C2)=C(C#N)C2=NN=C3CCCCCN23)=C1OC
InChIKey
InChIKey=HYXBTGDPBHTHTO-UHFFFAOYSA-N
Formula
C27H25N5O3S
Mass
499.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Phenoxy compounds Anisoles Azepines Alkyl aryl ethers Triazoles Thiazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Azole - Thiazole - 1,2,4-triazole - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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