Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC2=C1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OC(=O)CN)N1C=C(\C=C\Br)C(=O)NC1=O)OC2

InChIKey

InChIKey=VWWLOLQSFBDSLT-MAJGBPMISA-N

Formula

C21H23BrN3O9P

Mass

572.305

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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 - Alpha-amino acid ester - Alpha-amino acid or derivatives - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organohalogen compound - Organic oxide - Primary aliphatic amine - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - 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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