Compound Identification
SMILES
CN1C=C([C@H]2N(C)C=C([C@@H]1N2C)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=BGENHGNRSPZUSN-IUCAKERBSA-N
Formula
C9H13N5O4
Mass
255.234
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
Hydropyrimidines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Nitropyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - C-nitro compound - Organic nitro compound - Enamine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Aliphatic 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