Compound Identification
SMILES
CC(C)C[C@@H]1N[C@H]2N(C1=O)C1=CC=CC=C1[C@@]2(O)C[C@@H]1NC(=O)C2=CC=CC=C2N2C1NC1=CC=CC=C1C2=O
InChIKey
InChIKey=LXUXDMHTARRYLX-HRQQBBRKSA-N
Formula
C31H31N5O4
Mass
537.62
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 Secondary alkylarylamines Benzenoids Imidazolidinones Vinylogous amides Tertiary carboxylic acid amides Tertiary alcohols Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Quinazoline - Indole or derivatives - Secondary aliphatic/aromatic amine - Imidazolidinone - Benzenoid - Imidazolidine - Vinylogous amide - Tertiary carboxylic acid amide - Tertiary alcohol - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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