Compound Identification
SMILES
COC1=CC(C2NC(=O)N=C3NC4=CC=CC=C4NC(C4=CC=CC=C4)=C23)=C(OC)C=C1
InChIKey
InChIKey=FXKMKRMBAGCSGL-UHFFFAOYSA-N
Formula
C25H22N4O3
Mass
426.476
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 Dimethoxybenzenes Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers 1,4-diazepines Hydropyrimidines 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 - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Azacycle - Ether - Enamine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Amidine - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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