Compound Identification
SMILES
O=C1N(C=NC2=C1C1=C(CCCC1)S2)N=CC1=CC=C(O1)C1=CC=CC=C1C#N
InChIKey
InChIKey=PRDQQZJLMNUSFV-UHFFFAOYSA-N
Formula
C22H16N4O2S
Mass
400.46
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 Pyrimidones Thiophenes Heteroaromatic compounds Furans Lactams Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Thiophene - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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