Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C1=C(N2C(N)=NN=C2N=C1C(=O)OC)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=DPCDHGHJBKBXFP-UHFFFAOYSA-N

Formula

C16H12N6O7

Mass

400.307

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Nitrobenzene - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Nitroaromatic compound - Aryl ketone - Monocyclic benzene moiety - Keto acid - Alpha-keto acid - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Triazole - 1,2,4-triazole - Methyl ester - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Organic cation - 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

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