Compound Identification
SMILES
COC1=CC=C(C=NNC2=NC(C)=C3C(NC4=CC=CC=C4NC3=O)=N2)C=C1
InChIKey
InChIKey=FUFDNUOHJCIJNF-UHFFFAOYSA-N
Formula
C20H18N6O2
Mass
374.404
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 Anisoles Phenoxy compounds Methoxybenzenes 1,4-diazepines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Lactams Hydrazones Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Hydrazone - Ether - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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