Compound Identification
SMILES
NC1=NC(SCC2=CC=CC=C2)=NC2=NC=NC12
InChIKey
InChIKey=WKQWRCBJGFBIPQ-UHFFFAOYSA-N
Formula
C12H11N5S
Mass
257.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
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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
Not available
Direct Parent
Hydropyrimidines
Alternative Parents
Imidolactams Benzene and substituted derivatives Imidazoles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Imidolactam - Benzenoid - Imidazole - Amidine - Carboxylic acid amidine - Azacycle - Carboximidamide - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
External Descriptors
Not available