Compound Identification
SMILES
CN(C)C(=O)C1=C(C)NC(=S)N[C@@H]1C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=GZHMXXPDKKNMJA-LBPRGKRZSA-N
Formula
C14H15ClFN3OS
Mass
327.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidinethiones
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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
Pyrimidinethiones
Alternative Parents
2-Thiopyrimidines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzene - Fluorobenzene - Pyrimidinethione - Chlorobenzene - Thiopyrimidine - 2-thiopyrimidine - Hydropyrimidine - Benzenoid - Monocyclic benzene moiety - 1,2,3,4-tetrahydropyrimidine - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Carboxylic acid derivative - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. 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