Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)C(C1=C(O)N2N=C(C)N=C2S1)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=NVBIKLUNZVGXOK-UHFFFAOYSA-N
Formula
C21H27N5O5S
Mass
461.54
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
Piperazine carboxylic acids Triazolothiazoles Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Triazoles Thiazoles Carbamate esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Piperazine-1-carboxylic acid - Phenoxy compound - Anisole - Triazolothiazole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Piperazine - 1,4-diazinane - Carbamic acid ester - Azole - 1,2,4-triazole - Thiazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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