Structure Information
Structure

Compound Identification

SMILES

NC1=NC(SCC(=O)CBr)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@H](O1)C(OP(O)(O)=O)OP(O)(O)=O

InChIKey

InChIKey=ZHUXFFFCPDPJSU-OOZYFLPDSA-N

Formula

C13H18BrN5O11P2S

Mass

594.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Purine deoxyribonucleotides

Intermediate Tree Nodes

Purine deoxyribonucleoside monophosphates

Direct Parent

Purine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Purine 2'-deoxyribonucleoside monophosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aryl thioether - Aminopyrimidine - Monoalkyl phosphate - Alkylarylthioether - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Azole - Oxolane - Imidazole - Alpha-haloketone - Secondary alcohol - Ketone - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Oxacycle - Alkyl halide - Organobromide - Alcohol - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Alkyl bromide - Amine - Primary amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

External Descriptors

Not available

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