Compound Identification
SMILES
O=C1NC(=O)C(=NC2=NC(=CS2)C2=CC=CC=C2)C(=O)N1
InChIKey
InChIKey=ATLVINXBXHQYGN-UHFFFAOYSA-N
Formula
C13H8N4O3S
Mass
300.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
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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
Ureides 2,4-disubstituted thiazoles Diazinanes Benzene and substituted derivatives Secondary ketimines Heteroaromatic compounds Dicarboximides Azomethines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - 2,4-disubstituted 1,3-thiazole - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Azole - Azomethine - Heteroaromatic compound - Dicarboximide - Thiazole - Secondary ketimine - Ketimine - Urea - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Imine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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