Compound Identification
SMILES
O=C1NC(C2=C3C=CC=NC3=CC=C2)C2=C(NC3=CC=CC=C3NC2=N1)C1=CC=CC=C1
InChIKey
InChIKey=VVIPIQVFJWZVDI-UHFFFAOYSA-N
Formula
C26H19N5O
Mass
417.472
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 Quinolines and derivatives Pyrimidones 1,4-diazepines Pyridines and derivatives Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Quinoline - Para-diazepine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Amidine - Carboxylic acid amidine - Enamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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