Compound Identification
SMILES
O=C1N2CC3=CN=NN3C3=CC=CC=C3C2=NC2=CC=CC=C12
InChIKey
InChIKey=VVJVEOLAAQCUJX-UHFFFAOYSA-N
Formula
C17H11N5O
Mass
301.309
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
1,4-benzodiazepines Triazolodiazepines Quinazolines Pyrimidones 1,4-diazepines Benzenoids Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - Diazanaphthalene - Quinazoline - Triazolo-para-diazepine - Para-diazepine - Pyrimidone - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - 1,2,3-triazole - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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