Compound Identification
SMILES
O=C(NCN1C(=O)C2C3CC(C=C3)C2C1=O)NC1=NN=CS1
InChIKey
InChIKey=IVHYUQDKEMZHSK-UHFFFAOYSA-N
Formula
C13H13N5O3S
Mass
319.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
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Subclass
Isoindolines
- Level 5 Isoindolones
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Subclass
Isoindolines
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Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
1,3,4-thiadiazol-2-ylureas Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Heteroaromatic compounds Dicarboximides Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - 1,3,4-thiadiazol-2-ylurea - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Thiadiazole - Heteroaromatic compound - Azole - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors
Not available