Compound Identification
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC(=C(NCCNC2=CC=C(C3=NON=C23)[N+]([O-])=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=GEUVSFLUTZQYGQ-UHFFFAOYSA-N
Formula
C20H20N10O5
Mass
480.445
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
Benzoxadiazoles Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Furazans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzoxadiazole - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Furazan - Oxadiazole - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Secondary amine - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Amine - Organic zwitterion - Organic nitrogen 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