Compound Identification
SMILES
C(ON1CCCN2C=[N+](CC3=CC=CC=C3)C3=C2C1=NC=N3)C1=CC=CC=C1
InChIKey
InChIKey=BVFGPQSYRJPTQO-UHFFFAOYSA-N
Formula
C22H22N5O
Mass
372.451
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
6-alkylaminopurines 1,4-diazepines Pyrimidines and pyrimidine derivatives N-substituted imidazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds N-organohydroxylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - 6-alkylaminopurine - Imidazopyrimidine - Purine - Para-diazepine - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - N-organohydroxylamine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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