Compound Identification
SMILES
CN(CC(O)CO)C1=NC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1
InChIKey
InChIKey=QSUNZQDMCQHQDO-UHFFFAOYSA-N
Formula
C17H18BrN5O2
Mass
404.268
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
Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary alcohols 1,2-diols Azacyclic compounds Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Alcohol - Primary alcohol - Organic nitrogen compound - 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