Compound Identification
SMILES
CC1=C(C)C2=C(NC(NC2=O)C=CC2=CC(=CC=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=NIPATHWLUADOQU-UHFFFAOYSA-N
Formula
C16H15N3O3S
Mass
329.37
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
3,4,5-trisubstituted-2-aminothiophenes Nitrobenzenes Styrenes Nitroaromatic compounds Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Amines Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyrimidine - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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