Compound Identification
SMILES
CCN(CC)CCCNC(=O)\C=C\C(=O)CC1=NC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1
InChIKey
InChIKey=XBUGBTZCVMDYNI-MDZDMXLPSA-N
Formula
C25H29BrN6O2
Mass
525.451
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridopyrimidines
- Subclass Pyrido[3,4-d]pyrimidines
-
Class
Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Pyrido[3,4-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[3,4-d]pyrimidines
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Bromobenzenes Pyridines and derivatives N-acyl amines Imidolactams Aryl bromides Acryloyl compounds Heteroaromatic compounds Enones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Ketones Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Aniline or substituted anilines - Bromobenzene - Aminopyrimidine - Halobenzene - Pyridine - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Imidolactam - Benzenoid - N-acyl-amine - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Amino acid or derivatives - Ketone - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
External Descriptors
Not available