Compound Identification
SMILES
CC(C)N1C=C2C(NC3=CC=CC=C3N=C2N)=NC1=O
InChIKey
InChIKey=HFOYJOQMCYKYRQ-UHFFFAOYSA-N
Formula
C14H15N5O
Mass
269.308
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
Benzodiazepines Pyrimidones Imidolactams Benzenoids Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Pyrimidone - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Amidine - Carboxylic acid amidine - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen 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