Compound Identification
SMILES
[H][C@@]12CNC3=C(N=C1[C@@](C)(O)[C@@]1(C(O)=NC4=C1C=CC(Br)=C4)[C@@]2([H])C(=O)O[C@@]1([H])[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O[C@]1([H])OC[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O)C(O)=NC(O)=N3
InChIKey
InChIKey=BQGIDCZWFREXJV-YCMVQDFHSA-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 3-alkylindoles Cyclohexanols Secondary alkylarylamines Hydroxypyrimidines 1,4-diazepines Benzenoids Imidolactams Cyclitols and derivatives Monosaccharides Aryl bromides Oxanes Tertiary alcohols Heteroaromatic compounds Cyclic carboximidic acids Amino acids and derivatives Ketimines Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glycosyl compound - Glycosyl compound - Pyrimidodiazepine - 3-alkylindole - Indole or derivatives - Para-diazepine - Secondary aliphatic/aromatic amine - Cyclohexanol - Hydroxypyrimidine - Imidolactam - Benzenoid - Cyclitol or derivatives - Aryl bromide - Pyrimidine - Oxane - Monosaccharide - Aryl halide - Heteroaromatic compound - Cyclic alcohol - Cyclic carboximidic acid - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Ketimine - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Imine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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