Compound Identification
SMILES
COC1=CC=C(CNC(=S)NNC2=NC=NC3=C2SC(=C3)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=YAGPIMZOUHFDPE-UHFFFAOYSA-N
Formula
C21H19N5OS2
Mass
421.54
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
Phenoxy compounds Methoxybenzenes Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Thiosemicarbazides Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiosemicarbazide - Thiophene - Ether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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