Compound Identification
SMILES
CN1CCC(CC1)NC(=O)C1=CC(O)=C(NC2=NC=C3N(C)C(=O)CCN(C4CCCC4)C3=N2)C=C1
InChIKey
InChIKey=KTSXTVSPSIPDNR-UHFFFAOYSA-N
Formula
C26H35N7O3
Mass
493.612
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
Benzamides o-Aminophenols Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines 1,4-diazepines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Piperidines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Benzamide - Benzoic acid or derivatives - Aminophenol - O-aminophenol - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Para-diazepine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Imidolactam - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Secondary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen 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