Compound Identification
SMILES
BrC1=CC=CC(NC2=NC=NC3=CN=C(CC(=O)\C=C\C(=O)NCCCN4CCOCC4)C=C23)=C1
InChIKey
InChIKey=JBULJGRFCMVTLA-AATRIKPKSA-N
Formula
C25H27BrN6O3
Mass
539.434
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[3,4-d]pyrimidines
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Class
Pyridopyrimidines
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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 Morpholines Imidolactams Aryl bromides Acryloyl compounds Heteroaromatic compounds Enones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Ketones Secondary amines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Aniline or substituted anilines - Halobenzene - Aminopyrimidine - Bromobenzene - Oxazinane - Pyridine - Pyrimidine - N-acyl-amine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Imidolactam - Benzenoid - Morpholine - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Secondary carboxylic acid amide - Secondary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Carbonyl group - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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