Compound Identification
SMILES
COC1=C(NC2=NC=C3N(C)C(=O)CCN(C4CCCCC4)C3=N2)C=CC(=C1)C(=O)NN1CCN(C)CC1
InChIKey
InChIKey=HQYPIUMWODVUSU-UHFFFAOYSA-N
Formula
C27H38N8O3
Mass
522.654
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
Methoxyanilines Benzoic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Dialkylarylamines 1,4-diazepines Alkyl aryl ethers Aminopyrimidines and derivatives N-methylpiperazines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Carboxylic acid hydrazides Trialkylamines Azacyclic compounds Secondary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Piperazine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid hydrazide - Carboxamide group - Ether - Secondary amine - Carboxylic acid derivative - Azacycle - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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