Compound Identification
SMILES
CC(C)C[C@@H]1NC2N(C1=O)C1=CC=CC=C1C2(O)C[C@@H]1NC(=O)C2=CC=CC=C2N2C(=O)C3=CC=CC=C3N=C12
InChIKey
InChIKey=MGMRIOLWEROPJY-FEMCMSFOSA-N
Formula
C31H29N5O4
Mass
535.604
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 Alpha amino acids and derivatives Quinazolines Indoles and derivatives Pyrimidones Imidazolidinones Benzenoids Vinylogous amides Tertiary alcohols Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - Diazanaphthalene - Alpha-amino acid or derivatives - Quinazoline - Indole or derivatives - Pyrimidone - Imidazolidinone - Pyrimidine - Benzenoid - Imidazolidine - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Organooxygen compound - 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
CHEBI:2880 : pyrimidodiazepine