Compound Identification
SMILES
C[C@H]1CCC2=C(C1)SC1=C2C(=O)N(CC(=O)NN=CC2=CC(=C([O-])C=C2)[N+]([O-])=O)C=N1
InChIKey
InChIKey=KFJFYZQBWCELEZ-NSHDSACASA-M
Formula
C20H18N5O5S
Mass
440.45
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 Nitroaromatic compounds Pyrimidones Phenoxides Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Phenoxide - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic cation - 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