Compound Identification
SMILES
CC1=C2C(NC3=CC=CC=C3NC2=O)=NC(=N1)N(CCO)CCO
InChIKey
InChIKey=NLVYGJXKZILQBI-UHFFFAOYSA-N
Formula
C16H19N5O3
Mass
329.36
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 Dialkylarylamines 1,4-diazepines Aminopyrimidines and derivatives Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Secondary amines Alkanolamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Dialkylarylamine - Para-diazepine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Alkanolamine - Azacycle - Secondary amine - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - 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