Compound Identification
SMILES
COC1=NC=CC(CNC(=O)C2=NC3=C(S2)N(C)C(=O)N(CC2=CC(F)=C(F)C=C2)C3=O)=C1
InChIKey
InChIKey=NRBUTEGZACUHCW-UHFFFAOYSA-N
Formula
C21H17F2N5O4S
Mass
473.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
1,3-thiazolo[5,4-d]pyrimidines
Subclass
7-oxo-1,3-thiazolo[5,4-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
7-oxo-1,3-thiazolo[5,4-d]pyrimidines
Alternative Parents
Pyrimidinecarboxamides 2-heteroaryl carboxamides Thiazolecarboxamides Alkyl aryl ethers Fluorobenzenes Pyrimidones Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-oxo-1,3-thiazolo[5,4-d]pyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-oxo-1,3-thiazolo[5,4-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a 1,3-thiazolo[5,4-d]pyrimidine ring system that carries an oxo group at the 7-position. 1,3-thiazolo[5,4-d]pyrimidine consists of a 1,3-thiazole ring fused to but not sharing a nitrogen atom with a pyrimidine ring.
External Descriptors
Not available