Compound Identification
SMILES
COC1=CC(=CNNC(=O)CN2C=NC3=C(C4=C(C[C@@H](C)CC4)S3)C2=O)C=CC1=O
InChIKey
InChIKey=VINQVRGYQSNROA-LBPRGKRZSA-N
Formula
C21H22N4O4S
Mass
426.49
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
P-quinomethanes Pyrimidones Thiophenes Heteroaromatic compounds Lactams Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - P-quinomethane - Quinomethane - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Ketone - Lactam - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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