Compound Identification
SMILES
COC(=O)C1=C(C)NC(=O)N=C1C1=CC(OC)=C(OCC(=O)NN=CC2=CC(Br)=C(Br)O2)C=C1
InChIKey
InChIKey=AXYAMMZLKWWDCT-UHFFFAOYSA-N
Formula
C21H18Br2N4O7
Mass
598.204
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
Pyrimidinecarboxylic acids Hydropyrimidine carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Aryl bromides Vinylogous amides Furans Heteroaromatic compounds Methyl esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Azacycle - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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