Structure Information
Structure

Compound Identification

SMILES

O[C@H]1C[C@@H](O[C@@H]1CO[P@@]1(=O)OCC2=CC=CC(C3=CC=CC=C3)=C2O1)N1C=C(\C=C\Br)C(=O)NC1=O

InChIKey

InChIKey=PQSKDQPWYIFPAG-VALDLAPPSA-N

Formula

C24H22BrN2O8P

Mass

577.324

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Subclass

Pyrimidine deoxyribonucleotides

Intermediate Tree Nodes

Pyrimidine deoxyribonucleoside monophosphates

Direct Parent

Pyrimidine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrimidine 2'-deoxyribonucleoside monophosphate - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organooxygen compound - Organonitrogen compound - Organobromide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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