Compound Identification
SMILES
COC1=CC=C(CNC2=C3C(C)=C(SC3=NC=N2)C(=O)N(C)CC2=CSC=N2)C=C1
InChIKey
InChIKey=GRNHRJYBVJIQEB-UHFFFAOYSA-N
Formula
C21H21N5O2S2
Mass
439.55
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
Pyrimidinecarboxamides 2-heteroaryl carboxamides Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Thiophene carboxamides Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Thienopyrimidine - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Thiophene - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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