Compound Identification
SMILES
CC1SC(N(NC2=NC=NC3=C2SC(=C3)C2=CC=CC=C2)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NDHSRANEDQUHSY-UHFFFAOYSA-N
Formula
C22H17N5O3S2
Mass
463.53
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
Nitrobenzenes 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Pyrimidines and pyrimidine derivatives Imidolactams Thiazolidines Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Nitrobenzene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Thiazolidine - Thiophene - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Thioether - Dialkylthioether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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