Compound Identification
SMILES
CC1CN(C2CCCC2)C2=NC(NC3=CC(Cl)=C(C=C3)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O
InChIKey
InChIKey=QXWNXZBHAPSXMH-UHFFFAOYSA-N
Formula
C27H36ClN7O2
Mass
526.08
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
2-halobenzoic acids and derivatives Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines 1,4-diazepines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Piperidines Imidolactams Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Secondary amines Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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