Compound Identification
SMILES
C[C@@]1(O)C2=Nc3c(NC[C@H]2[C@H](C(=O)OC2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]11C(=O)Nc2cc(Br)ccc12)[nH]c(=O)[nH]c3=O
InChIKey
InChIKey=BQGIDCZWFREXJV-IFKJOSTCSA-N
Formula
C30H34BrN5O15
Mass
784.526
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
O-glycosyl compounds Indolines Secondary alkylarylamines Pyrimidones Cyclohexanols 1,4-diazepines Oxanes Monosaccharides Cyclitols and derivatives Benzenoids Aryl bromides Vinylogous amides Tertiary alcohols Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Ketimines Carboxylic acid esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - O-glycosyl compound - Glycosyl compound - Dihydroindole - Indole or derivatives - Secondary aliphatic/aromatic amine - Pyrimidone - Cyclohexanol - Para-diazepine - Benzenoid - Pyrimidine - Oxane - Monosaccharide - Aryl halide - Aryl bromide - Cyclitol or derivatives - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Cyclic alcohol - Urea - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Ketimine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - Carbonyl group - Amine - Alcohol - 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