Compound Identification
SMILES
CO[N+](=O)C1=C(N=C(NC2=CC=CC=C2Cl)N=C1\N=C(/N)\C=C(/N)C1CC1)C(=O)NCCN1CCOCC1
InChIKey
InChIKey=JAODTKDNGYPEKE-UHFFFAOYSA-O
Formula
C24H31ClN9O4
Mass
545.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
2-heteroaryl carboxamides Aniline and substituted anilines Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Morpholines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Alkyl nitrites Organic nitro compounds Amino acids and derivatives Oxacyclic compounds Enamines Organic oxoazanium compounds Carboxamidines Azacyclic compounds N-organohydroxylamines Dialkyl ethers Organochlorides Hydrocarbon derivatives Monoalkylamines Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Chlorobenzene - Oxazinane - Morpholine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Alkyl nitrite - Organic nitro compound - Carboxamide group - Tertiary aliphatic amine - Amidine - Oxacycle - Carboxylic acid amidine - Azacycle - Carboxylic acid derivative - N-organohydroxylamine - Dialkyl ether - Enamine - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available