Compound Identification
SMILES
[Cl-].COC1=CC=C(C=C1)C1=C(C[NH2+]CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=ADGXVXNWVIMWQV-UHFFFAOYSA-N
Formula
C34H27Cl2F2N3O3S
Mass
666.56
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
Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Pyrimidones Aralkylamines Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous amides Thiophenes Quaternary ammonium salts Heteroaromatic compounds Ureas Lactams Azacyclic compounds Dialkylamines Organofluorides Organic chloride salts Organic oxides Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Phenylmethylamine - Phenol ether - Benzylamine - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl fluoride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Quaternary ammonium salt - Urea - Lactam - Azacycle - Secondary aliphatic amine - Ether - Organic oxygen compound - Organonitrogen compound - Organic salt - Organohalogen compound - Organochloride - Amine - Organic chloride salt - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic cation - 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