Compound Identification
SMILES
CCN(CC)C(=O)C1=C(C)C2=C(S1)N(CC1=CC(=CC=C1)[N+]([O-])=O)C(=O)N(C1=CC(Cl)=C(Cl)C=C1)C2=O
InChIKey
InChIKey=MXYPMGHTIHTKBG-UHFFFAOYSA-N
Formula
C25H22Cl2N4O5S
Mass
561.43
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
Pyrimidinecarboxamides Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides Dichlorobenzenes Nitroaromatic compounds Pyrimidones Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Pyrimidinecarboxamide - Nitrobenzene - 2-heteroaryl carboxamide - Thiophene carboxamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Pyrimidone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic cation - 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