Compound Identification
SMILES
NC1=NC2=C(N=C(CC(N2)C2=CC=CC=C2)C=CC2=CC=C(Cl)C=C2)C(N)=N1
InChIKey
InChIKey=QIVBVPNBLXUDTK-UHFFFAOYSA-N
Formula
C21H19ClN6
Mass
390.88
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
Styrenes Chlorobenzenes Aminopyrimidines and derivatives 1,4-diazepines Imidolactams Aryl chlorides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Styrene - Para-diazepine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Imine - Organochloride - Organohalogen 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