Compound Identification
SMILES
COC(=O)C1=CC(C2=CC(OC)=C(OC)C(OC)=C2)=C2C(=O)N=C(N)N=C2N(C)N1
InChIKey
InChIKey=KMEJBUTUHDOVOT-UHFFFAOYSA-N
Formula
C19H21N5O6
Mass
415.406
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
Alpha amino acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Methyl esters Enoate esters N-acylimines Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Monocarboxylic acids and derivatives Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - 5,6-dihydropyrimidine - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid amidrazone - N-acylimine - Carboxylic acid ester - Amidine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen 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