Compound Identification
SMILES
CC1=CC(=NC2=NC(SC3=CC=CC=C3[N+]([O-])=O)=NN12)C1=CC=CC=C1
InChIKey
InChIKey=FXPRQIABACCZFQ-UHFFFAOYSA-N
Formula
C18H13N5O2S
Mass
363.4
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
Diarylthioethers Triazolopyrimidines Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Triazoles Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Diarylthioether - Triazolopyrimidine - Nitrobenzene - Nitroaromatic compound - Thiophenol ether - Aryl thioether - Monocyclic benzene moiety - Benzenoid - Triazole - Heteroaromatic compound - 1,2,4-triazole - Azole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organic oxoazanium - Thioether - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - 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