Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC2=C(S1)C(=O)N(CC1=NC3=CC=CC=C3S1)C=N2
InChIKey
InChIKey=AVYBEOURJJPAEH-UHFFFAOYSA-N
Formula
C21H15N3O2S2
Mass
405.49
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
Benzothiazoles Phenoxy compounds Methoxybenzenes Anisoles 2,3,5-trisubstituted thiophenes Pyrimidones Alkyl aryl ethers Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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