Compound Identification
SMILES
CC1=C2C(NC3=CC=CC=C3NC2=O)=NC(NCCOCCO)=N1
InChIKey
InChIKey=ZCGWATSMACPQOT-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 Aminopyrimidines and derivatives 1,4-diazepines Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Para-diazepine - Aminopyrimidine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxide - 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