Compound Identification
SMILES
CN1NC(C)=CC(C)=C2C(=O)N=C(N)N=C12
InChIKey
InChIKey=RYEACUBPCRRJKW-UHFFFAOYSA-N
Formula
C10H13N5O
Mass
219.248
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 Imidolactams Hydropyrimidines N-acylimines Amidrazones Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - 5,6-dihydropyrimidine - Pyrimidine - Imidolactam - N-acylimine - Carboxylic acid amidrazone - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Amidine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Aliphatic 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