Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)N1C=NC(C#N)=C1N

InChIKey

InChIKey=NCGJMQAGJGHUBI-PNHWDRBUSA-N

Formula

C12H16N4O3

Mass

264.285

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Ethers

Intermediate Tree Nodes

Acetals

Direct Parent

Ketals

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ketal - Aminoimidazole - N-substituted imidazole - Primary aromatic amine - Meta-dioxolane - Azole - Imidazole - Oxolane - Heteroaromatic compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Cyanide - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.

External Descriptors

Not available

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