Compound Identification
SMILES
CNCC1=CC=C(CSCCNC2=NC=C(CC3=CN=CC=C3)C(=O)N2)S1
InChIKey
InChIKey=MBRIMNBNGVEGRA-UHFFFAOYSA-N
Formula
C19H23N5OS2
Mass
401.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Aralkylamines Aminopyrimidines and derivatives 2,5-disubstituted thiophenes Pyridines and derivatives Hydropyrimidines Heteroaromatic compounds Lactams Sulfenyl compounds Dialkylthioethers Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Pyrimidone - Aralkylamine - 2,5-disubstituted thiophene - Hydropyrimidine - Pyridine - Heteroaromatic compound - Thiophene - Lactam - Secondary aliphatic amine - Azacycle - Secondary amine - Thioether - Dialkylthioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available