Compound Identification
SMILES
COC(=O)CC1CN(CC2=CC=CC=C2)C2=C(C3C(CON13)C(C)=O)C(OC)=NC(OC)=N2
InChIKey
InChIKey=ZJHAYBODOGTPPB-UHFFFAOYSA-N
Formula
C23H28N4O6
Mass
456.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrimidodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrimidodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidodiazepines
Alternative Parents
Dialkylarylamines Benzylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Methyl esters Isoxazolidines Heteroaromatic compounds Ketones Oxacyclic compounds N-organohydroxylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Benzylamine - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Isoxazolidine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - N-organohydroxylamine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidodiazepines. These are compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
External Descriptors
Not available