Compound Identification
SMILES
CC1=C(C(N2NC(SCC3=CC=CC=C3)=NC2=N1)C1=CC=CC=C1[N+]([O-])=O)C(N)=O
InChIKey
InChIKey=IMIXPSPRJLYPBV-UHFFFAOYSA-N
Formula
C20H18N6O3S
Mass
422.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrimidinecarboxamides Nitrobenzenes Nitroaromatic compounds Hydropyrimidines Triazolines Primary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Imines Organic zwitterions Organic oxides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Pyrimidinecarboxamide - Triazolopyrimidine - Nitroaromatic compound - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Triazoline - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Imine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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