Compound Identification
SMILES
CCNCC1=CN2C(S1)=NC(C(=O)NCC1=CC(Cl)=C(Cl)C=C1)=C(O)C2=O
InChIKey
InChIKey=PVDVFCJULSEMMA-UHFFFAOYSA-N
Formula
C17H16Cl2N4O3S
Mass
427.3
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
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxamides
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Level 5
Pyrimidinecarboxylic acids and derivatives
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxamides
Alternative Parents
2-heteroaryl carboxamides Dichlorobenzenes Pyrimidones Aralkylamines Hydroxypyrimidines Aryl chlorides Vinylogous acids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organooxygen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - 2-heteroaryl carboxamide - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Pyrimidone - Aralkylamine - Hydroxypyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Vinylogous acid - Thiazole - Heteroaromatic compound - Azole - Lactam - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
External Descriptors
Not available