Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=C3C(SC4=CC=CC=C34)=NC(CCN3CCN(CCC4=NNN=N4)CC3)=N2)C=C1
InChIKey
InChIKey=JXOXSHDDRVNRNJ-UHFFFAOYSA-N
Formula
C27H30ClN9OS
Mass
564.11
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
1-benzothiophenes Anisoles Benzylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Imidolactams Thiophenes Tetrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - Thienopyrimidine - 1-benzothiophene - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Methoxybenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aminopyrimidine - Imidolactam - Benzenoid - 1,4-diazinane - Aryl chloride - Pyrimidine - Piperazine - Aryl halide - Monocyclic benzene moiety - Azole - Tetrazole - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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