Compound Identification
SMILES
FC1=NC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1
InChIKey
InChIKey=KRRHOFYUUHSVEQ-UHFFFAOYSA-N
Formula
C13H8BrFN4
Mass
319.137
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 Bromobenzenes Aminopyrimidines and derivatives 2-halopyridines Imidolactams Aryl fluorides Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - 2-halopyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Azacycle - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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