Compound Identification
SMILES
COC1=C(OC)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CCOCC(O)=O)=N2)C=C1
InChIKey
InChIKey=XTJSWBUNWICXNP-UHFFFAOYSA-N
Formula
C23H27N3O5S
Mass
457.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Thienopyrimidines Phenoxy compounds Anisoles Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Amines Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Thienopyrimidine - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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