Compound Identification
SMILES
CC1=NC=C(COP(O)(O)=O)C(=CN)C1=O
InChIKey
InChIKey=FJABCQPZIJTJSK-UHFFFAOYSA-N
Formula
C8H11N2O5P
Mass
246.159
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic phosphoric acids and derivatives
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Subclass
Phosphate esters
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Level 5
Alkyl phosphates
- Level 6 Monoalkyl phosphates
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Level 5
Alkyl phosphates
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Subclass
Phosphate esters
-
Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Alkyl phosphates
Direct Parent
Monoalkyl phosphates
Alternative Parents
Dihydropyridines Vinylogous amides Ketimines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Allylamines Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Dihydropyridine - Monoalkyl phosphate - Hydropyridine - Vinylogous amide - Ketimine - Cyclic ketone - Ketone - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Imine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
External Descriptors
Not available