Compound Identification
SMILES
[H]OCC1OC(CC1N1C=C(CN2\C(SC3=C2C=CC=C3)=C\C2=C([O-])\C(=C/C3=[N+](CC4=CN(N=N4)C4CC(OC4CO[H])N4C=C(C)C(=O)N([H])C4=O)C4=C(S3)C=CC=C4)\C2=C(C#N)C#N)N=N1)N1C=C(C)C(=O)N([H])C1=O
InChIKey
InChIKey=BVOAEKCVRQRXCL-UHFFFAOYSA-N
Formula
C49H42N14O9S2
Mass
1035.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
- Class Pyrimidine nucleosides
-
Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleosides
Subclass
Pyrimidine 2',3'-dideoxyribonucleosides
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidine 2',3'-dideoxyribonucleosides
Alternative Parents
Benzothiazoles Aryl thioethers Pyrimidones Hydropyrimidines Benzenoids Vinylogous amides Triazoles Thiazoles Tetrahydrofurans Heteroaromatic compounds Ureas Lactams Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine 2',3'-dideoxyribonucleoside - 1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Pyrimidone - Benzenoid - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - 1,2,3-triazole - Thiazole - Tetrahydrofuran - Azole - Urea - Lactam - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
External Descriptors
Not available