Compound Identification
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC(=C(NCCNCC2=CC(=O)OC3=C2C=CC(OC)=C3)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XCMZHIJUROSJEF-UHFFFAOYSA-N
Formula
C25H27N7O5
Mass
505.535
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
Coumarins and derivatives 1-benzopyrans Nitrobenzenes Aniline and substituted anilines Anisoles Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Alkyl aryl ethers Pyranones and derivatives Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Lactones Dialkylamines Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Coumarin - Benzopyran - 1-benzopyran - Nitrobenzene - Anisole - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Aminopyrimidine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Imidolactam - Pyran - Heteroaromatic compound - C-nitro compound - Lactone - Organic nitro compound - Organic 1,3-dipolar compound - Secondary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organic salt - 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