Compound Identification
SMILES
CSC1=NC(C2=CC(Cl)=C(Cl)C=C2)C(C([O-])=O)=C(COCCN2CCCCC2)N1
InChIKey
InChIKey=DBVOSIPDYXASER-UHFFFAOYSA-M
Formula
C20H24Cl2N3O3S
Mass
457.39
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 Hydropyrimidines
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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
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Dichlorobenzenes Aryl chlorides Piperidines Vinylogous amides Amino acids Trialkylamines Carboxylic acid salts Isothioureas Monocarboxylic acids and derivatives Sulfenyl compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Isothiourea - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Dialkyl ether - Carboximidamide - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available