Compound Identification
SMILES
COC1=C(F)C=CC(CNC(=O)C2=NC3=C(C(COC[C@@H]4CO[C@H](CO4)C(N)=O)=CS3)C(=O)N2)=C1
InChIKey
InChIKey=NQQSTQQKCIWGLD-CZUORRHYSA-N
Formula
C22H23FN4O7S
Mass
506.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
Pyrimidinecarboxamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Fluorobenzenes 1,4-dioxanes Aryl fluorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Pyrimidine-2-carboxylic acid or derivatives - Thienopyrimidine - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Para-dioxane - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available