Compound Identification
SMILES
CC1(C)CC2=C(CO1)SC1=C2C(=O)N(NC(=O)CCl)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=PDLOSJSVYBCDHB-UHFFFAOYSA-N
Formula
C19H18ClN3O3S
Mass
403.88
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
Thienopyrans Pyrimidones Pyrans Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Oxacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Carbonyl compounds Alkyl chlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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