Compound Identification
SMILES
CN1CC(=O)N(C(=O)C1)C1=CN=C(NCCNC2=NC=C(C=C2)[N+]([O-])=O)N=C1C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=KSEGXLWVOKQIDT-UHFFFAOYSA-N
Formula
C22H20Cl2N8O4
Mass
531.35
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 Phenylpyrimidines
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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
Phenylpyrimidines
Alternative Parents
N-arylpiperazines Alpha amino acids and derivatives Dichlorobenzenes Dioxopiperazines Nitroaromatic compounds Aminopyridines and derivatives Aminopyrimidines and derivatives N-methylpiperazines Imidolactams Aryl chlorides N-substituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-arylpiperazine - Alpha-amino acid or derivatives - Nitroaromatic compound - Dioxopiperazine - 1,3-dichlorobenzene - Halobenzene - Aminopyridine - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Piperazine - Pyridine - Imidolactam - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Dicarboximide - Heteroaromatic compound - Carboxylic acid imide - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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