Compound Identification
SMILES
C1CN(CCN1)N1N=NN2C1C1=C(NCN=C1)NC1=CC=CC=C21
InChIKey
InChIKey=ZHXCNRLYLISGKV-UHFFFAOYSA-N
Formula
C15H19N9
Mass
325.38
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
1,4-diazepines Piperazines Hydropyrimidines Benzenoids Tetrazolines Ketene acetals Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Para-diazepine - 1,4-diazinane - Hydropyrimidine - 1,2-dihydropyrimidine - Piperazine - Benzenoid - Tetrazoline - Ketene acetal or derivatives - Secondary amine - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Imine - Amine - Organic nitrogen 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