Compound Identification
SMILES
CC(=O)NNC1=NC(C)=C2C(NC3=CC=CC=C3NC2=O)=N1
InChIKey
InChIKey=GDJADQQMDJJGBI-UHFFFAOYSA-N
Formula
C14H14N6O2
Mass
298.306
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 1,4-diazepines Benzenoids Pyrimidines and pyrimidine derivatives Imidolactams Vinylogous amides Acetamides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Secondary carboxylic acid amides Lactams Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Para-diazepine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Acetamide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - 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