Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(CNCC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=ZIQXLRUZMWTHRQ-UHFFFAOYSA-N
Formula
C34H26ClF2N3O3S
Mass
630.11
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
Benzylamines Methoxybenzenes Anisoles Phenoxy compounds Phenylmethylamines Chlorobenzenes Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyrimidones Aryl fluorides Aryl chlorides Heteroaromatic compounds Thiophenes Vinylogous amides Lactams Ureas Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organochloride - Amine - 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