Compound Identification
SMILES
C[C@@H]1CCC2=C(C1)SC1=C2C(=O)N(CC(=O)NNC=C2C=CC(=O)C(=C2)[N+]([O-])=O)C=N1
InChIKey
InChIKey=KXIBHNFTHJUUHX-LLVKDONJSA-N
Formula
C20H19N5O5S
Mass
441.46
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
P-quinomethanes Pyrimidones Thiophenes Heteroaromatic compounds Lactams Carboxylic acid hydrazides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - P-quinomethane - Quinomethane - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Ketone - Lactam - C-nitro compound - Organic nitro compound - Cyclic ketone - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - 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