Compound Identification
SMILES
COC(=O)C1=CC=C(SCC2=NC3=C(NC(N)=NC3=O)NCC2)C=C1
InChIKey
InChIKey=JZUIINAGKSXJPT-UHFFFAOYSA-N
Formula
C16H17N5O3S
Mass
359.4
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
P-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Benzoyl derivatives Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Alkylarylthioethers 1,4-diazepines Vinylogous amides Methyl esters Heteroaromatic compounds Ketimines Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - P-sulfanylbenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Alkylarylthioether - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Para-diazepine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Ketimine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Amine - 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