Compound Identification
SMILES
COCCN(C[C@@H](O)COCC#C)CC1=NC2=C(C3=C(C[C@H](C)CC3)S2)C(=O)N1
InChIKey
InChIKey=ISUPGRGZWZSPQE-HUUCEWRRSA-N
Formula
C21H29N3O4S
Mass
419.54
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
Pyrimidones Aralkylamines Thiophenes Heteroaromatic compounds Trialkylamines Secondary alcohols Lactams 1,2-aminoalcohols Dialkyl ethers Azacyclic compounds Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Pyrimidone - Aralkylamine - Pyrimidine - Thiophene - Heteroaromatic compound - 1,2-aminoalcohol - Lactam - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Acetylide - Dialkyl ether - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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