Compound Identification
SMILES
[Na+].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)C(=O)CCC([O-])=O
InChIKey
InChIKey=JLKVMKCEBBKPCG-WHFKLAERSA-M
Formula
C35H34N5NaO7
Mass
659.675
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 Amino acids Carboxylic acid salts Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic sodium salts Organic oxides Organic zwitterions
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 alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Secondary amine - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Organic oxygen compound - Organic salt - Carbonyl group - 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