Compound Identification
SMILES
COC(=O)COP(=O)(OCCC#N)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C1=CC=CC=C1)N1C=C(C#CCCCCCCNC(=O)C(F)(F)F)C(=O)NC1=O
InChIKey
InChIKey=BWNGREUMEIQFCI-VERBLDJWSA-N
Formula
C32H36F3N4O12P
Mass
756.625
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Benzoic acid esters Benzoyl derivatives Trialkyl phosphates Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Methyl esters Oxolanes Lactams Secondary carboxylic acid amides Ureas Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine 2'-deoxyribonucleoside monophosphate - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Trialkyl phosphate - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Alkyl phosphate - Heteroaromatic compound - Oxolane - Vinylogous amide - Methyl ester - Urea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic 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