Compound Identification
SMILES
C[C@H]1CN2[C@H](CCN1)NC(=O)C1=C2C=CC(Cl)=C1Cl
InChIKey
InChIKey=XNWPRBFXLGKZAT-OIBJUYFYSA-N
Formula
C13H15Cl2N3O
Mass
300.18
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
Quinazolines Dialkylarylamines 1,4-diazepanes Aryl chlorides Benzenoids Vinylogous amides Vinylogous halides Lactams Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Quinazoline - Dialkylarylamine - 1,4-diazepane - Diazepane - Aryl chloride - Aryl halide - Benzenoid - Vinylogous amide - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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