Compound Identification
SMILES
CN1C2=C(NC[C@H](NC(=O)OC(C)(C)C)C1=O)N=CN=C2Cl
InChIKey
InChIKey=ALGWOQBZTDBKTO-ZETCQYMHSA-N
Formula
C13H18ClN5O3
Mass
327.77
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
Beta amino acids and derivatives Alpha amino acids and derivatives 1,4-diazepines Halopyrimidines Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Lactams Azacyclic compounds Hydrocarbon derivatives Organochlorides Amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Pyrimidodiazepine - Alpha-amino acid or derivatives - Para-diazepine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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