Compound Identification
SMILES
NC1=C2C=C(CN3CCOCC3)SC2=NC(=N1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=LYQJNASPQIZIPN-UHFFFAOYSA-N
Formula
C18H17N5OS
Mass
351.43
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
Benzonitriles 2,3,5-trisubstituted thiophenes Aralkylamines Aminopyrimidines and derivatives Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary amine - 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