Compound Identification
SMILES
CC1=C2C(NC3=CC=CC=C3NC2=O)=NC(NCCNCCO)=N1
InChIKey
InChIKey=UAYKBKDCZBWCIE-UHFFFAOYSA-N
Formula
C16H20N6O2
Mass
328.376
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 Secondary alkylarylamines 1,4-diazepines Aminopyrimidines and derivatives Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Para-diazepine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid derivative - Secondary amine - Alkanolamine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Alcohol - Organic oxygen 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