Compound Identification
SMILES
CC[C@H](NC1=C2C(C)=C(SC2=NC=N1)C(=O)NCCN1CCOCC1)C1=CC=CS1
InChIKey
InChIKey=PZHYFDCBNAOHSH-HNNXBMFYSA-N
Formula
C21H27N5O2S2
Mass
445.6
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 Thiophene carboxamides Aminopyrimidines and derivatives Secondary alkylarylamines Imidolactams Morpholines Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Thienopyrimidine - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aminopyrimidine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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