Compound Identification
SMILES
CCS(=O)(=O)CCOC(C)C1(CC=CO1)C1=NC=C2N=CN=C(NC3=CC(Br)=C(OCC4=CC(F)=CC=C4)C=C3)C2=C1
InChIKey
InChIKey=FTBDKRDTBYRJDU-UHFFFAOYSA-N
Formula
C30H30BrFN4O5S
Mass
657.56
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
Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Fluorobenzenes Pyridines and derivatives Aryl bromides Aryl fluorides Imidolactams Sulfones Heteroaromatic compounds Dihydrofurans Secondary amines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organofluorides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Pyridine - Pyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl halide - Sulfonyl - Heteroaromatic compound - Dihydrofuran - Sulfone - Oxacycle - Azacycle - Secondary amine - Dialkyl ether - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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