Compound Identification
SMILES
CC1(C)N(O)C(C)(C)C2=C(CN(CN12)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=PUHXQGQINIDMON-UHFFFAOYSA-N
Formula
C16H22N4O3
Mass
318.377
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 Nitropyrimidines
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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
Nitropyrimidines
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Hydropyrimidines Imidazolidines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds N-organohydroxylamines Enamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitropyrimidine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Imidazolidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Enamine - N-organohydroxylamine - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group. 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