Compound Identification
SMILES
CC1=CC=CC=C1N1C(=S)N(C2=NN=C(S2)C2=CC=CC=C2Cl)C2=C(SC(N)=N2)C1=O
InChIKey
InChIKey=BBYFNTNQBSYREF-UHFFFAOYSA-N
Formula
C20H13ClN6OS3
Mass
485.0
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Pyrimidones
Alternative Parents
Toluenes Chlorobenzenes Pyrimidinethiones 2-amino-1,3-thiazoles Aryl chlorides Vinylogous amides Thiadiazoles Heteroaromatic compounds Lactams Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Toluene - 1,3-thiazol-2-amine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Vinylogous amide - Azole - Thiazole - Thiadiazole - Heteroaromatic compound - Thiourea - Lactam - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Amine - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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