Compound Identification
SMILES
CCOC(CCC1=C(NC(NOC(C)=O)=NC1=O)C1=CC=C(C=C1)[N+]([O-])=O)OCC
InChIKey
InChIKey=OSSLCRPWYFHINO-UHFFFAOYSA-N
Formula
C19H24N4O7
Mass
420.422
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
N-acetoxyarylamines Nitrobenzenes Nitroaromatic compounds Pyrimidones Hydropyrimidines Acetate salts Heteroaromatic compounds Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - N-acetoxyarylamine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Acetate salt - Vinylogous amide - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic 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