Compound Identification
SMILES
OC(=O)C(F)(F)F.O[C@H](CN1C=CN=C1)CN1N=CC2=C1CCC1=C2SC2=NC=NC(NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3)=C12
InChIKey
InChIKey=QODOLTAOLDNYRV-ZMBIFBSDSA-N
Formula
C32H26ClF4N7O4S
Mass
716.11
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
Aniline and substituted anilines Phenol ethers Phenoxy compounds Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Imidolactams Aryl fluorides Alpha-halocarboxylic acids Thiophenes Heteroaromatic compounds Pyrazoles Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Secondary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Imidolactam - Benzenoid - Thiophene - Alpha-halocarboxylic acid or derivatives - Pyrazole - Azole - Alpha-halocarboxylic acid - Heteroaromatic compound - Imidazole - Secondary alcohol - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alcohol - Organooxygen compound - Organochloride - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - 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