Compound Identification
SMILES
COC(=O)C[C@@H]1N=C(C2=C(SC(C)=C2C)N2C(C)=NN=C12)C1=CC=C(NC2=CN=C(OC)C=C2)C=C1
InChIKey
InChIKey=OJZWHYMGOICNEG-FQEVSTJZSA-N
Formula
C26H26N6O3S
Mass
502.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienodiazepines
Alternative Parents
Aniline and substituted anilines 1,4-diazepines Alkyl aryl ethers Aminopyridines and derivatives Primary aromatic amines Methyl esters Heteroaromatic compounds Thiophenes Triazoles Ketimines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - Aniline or substituted anilines - Para-diazepine - Alkyl aryl ether - Aminopyridine - Primary aromatic amine - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiophene - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Ketimine - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Secondary amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available