Compound Identification
SMILES
COC1=C\C(=C\NN(C)C(=S)N2N=C(N=C2N)N2CCOCC2)C=CC1=O
InChIKey
InChIKey=MTBGDDLSUSYXNH-ZHACJKMWSA-N
Formula
C16H21N7O3S
Mass
391.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Dialkylarylamines Morpholines Triazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organosulfur compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Dialkylarylamine - Morpholine - Oxazinane - Azole - Heteroaromatic compound - 1,2,4-triazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available