Compound Identification
SMILES
CCOC(=O)C1=CC(=C)NN(C)C2=C1C(=O)N=C(N)N2
InChIKey
InChIKey=BMZQCSUQDDACNW-UHFFFAOYSA-N
Formula
C12H15N5O3
Mass
277.284
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
Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Alkylhydrazines Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Aminopyrimidine - Pyrimidone - Pyrimidine - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Alkylhydrazine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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