Compound Identification
SMILES
COC1=C(N=CC=C1)C(O)C1=CC2=C(N)N=C(N=C2S1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=JSFXBYWCJABBLZ-UHFFFAOYSA-N
Formula
C20H15N5O2S
Mass
389.43
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
Benzonitriles 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary alcohols Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Secondary alcohol - Azacycle - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Cyanide - Alcohol - Aromatic alcohol - Amine - Organic oxygen 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