Compound Identification
SMILES
O=C1NC(=O)C(=CC2=CSC3=CC=CC=C23)C(=O)N1
InChIKey
InChIKey=KYUZIHNLKUMCRA-UHFFFAOYSA-N
Formula
C13H8N2O3S
Mass
272.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
1-benzothiophenes N-acyl ureas Diazinanes Benzenoids Thiophenes Heteroaromatic compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Barbiturate - Benzothiophene - 1-benzothiophene - N-acyl urea - Ureide - 1,3-diazinane - Benzenoid - Dicarboximide - Thiophene - Heteroaromatic compound - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available