Compound Identification
SMILES
[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O.COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CCCCC(O)=O)=N2)C=C1
InChIKey
InChIKey=PWIPEPREWXALNV-UHFFFAOYSA-N
Formula
C28H34ClN7O15S
Mass
776.12
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
Phenoxy compounds Anisoles Benzylamines Methoxybenzenes Medium-chain fatty acids Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Aryl chlorides Imidolactams Thiophenes Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic zwitterions Organochlorides Organic oxides Organic salts Amines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Medium-chain fatty acid - Benzylamine - Alkyl aryl ether - Aminopyrimidine - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyrimidine - Fatty acyl - Benzenoid - Fatty acid - Monocyclic benzene moiety - Imidolactam - Alkyl nitrate - Heteroaromatic compound - Organic nitrate - Thiophene - Organic nitric acid or derivatives - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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