Compound Identification
SMILES
COC1=C(NC2=NC=C3N(C)C(=O)C(CC#C)CN(C4CCCC4)C3=N2)C=CC(=C1)C(=O)NC1CCCNC1
InChIKey
InChIKey=BIBGQICAYOIOHT-UHFFFAOYSA-N
Formula
C29H37N7O3
Mass
531.661
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
Benzamides Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1,4-diazepines Aminopyrimidines and derivatives Imidolactams Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Acetylides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Aminopyrimidine - Para-diazepine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Secondary amine - Azacycle - Acetylide - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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