Compound Identification
SMILES
CCC(NC1=C(CN(CN1C)C1CC1)[N+]([O-])=O)C1=CN=C(Cl)C=C1
InChIKey
InChIKey=QSPVAZMTQVUJNV-UHFFFAOYSA-N
Formula
C16H22ClN5O2
Mass
351.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
2-halopyridines Hydropyrimidines Aryl chlorides Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitropyrimidine - 2-halopyridine - Aryl chloride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyridine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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