Compound Identification
SMILES
CC1=C(NC(=O)CN2C=NC3=C(C=C(S3)C3=CC=CC=C3)C2=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NKBFTPPDXYHYRH-UHFFFAOYSA-N
Formula
C21H16N4O4S
Mass
420.44
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
Anilides Nitrobenzenes Nitrotoluenes 2,3,5-trisubstituted thiophenes N-arylamides Nitroaromatic compounds Pyrimidones Heteroaromatic compounds Lactams Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyrimidine - Anilide - Nitrotoluene - Nitroaromatic compound - N-arylamide - 2,3,5-trisubstituted thiophene - Pyrimidone - Toluene - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Lactam - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - 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