Compound Identification
SMILES
COC(=O)C1=C(COCCN)NC(=NC1C1=CC=CC=C1Cl)C1=CC=CC=N1
InChIKey
InChIKey=FPABINAWAKAPPV-UHFFFAOYSA-N
Formula
C20H21ClN4O3
Mass
400.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
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
Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Carboximidamides Enamines Dialkyl ethers Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Enamine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Organopnictogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Primary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - 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