Compound Identification
SMILES
COC(=O)C(=O)C1=C(N2C(N)=NN=C2N=C1C(=O)OC)C1=CC=C(OC)C=C1
InChIKey
InChIKey=IRUCWQFAVGQUNB-UHFFFAOYSA-N
Formula
C17H15N5O6
Mass
385.336
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
Triazolopyrimidines Pyrimidinecarboxylic acids Anisoles Phenoxy compounds Aryl ketones Methoxybenzenes Alkyl aryl ethers Alpha-keto acids and derivatives Vinylogous amides Triazoles Heteroaromatic compounds Methyl esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Anisole - Phenol ether - Phenoxy compound - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-keto acid - Keto acid - Methyl ester - Heteroaromatic compound - 1,2,4-triazole - Triazole - Vinylogous amide - Azole - Amino acid or derivatives - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic nitrogen compound - Primary amine - Amine - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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