Compound Identification
SMILES
CC1=CC(NC2=NC=NC3=C2SC2=C3C=C(C=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=VRACYLKRFFVNRG-UHFFFAOYSA-N
Formula
C17H12N4O2S
Mass
336.37
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
1-benzothiophenes Aniline and substituted anilines Nitroaromatic compounds Toluenes Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Thienopyrimidine - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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