Compound Identification
SMILES
CC1=CC=C(S1)C1=NC2=C(C(=O)NC(=S)N2C[C@H]2CCCO2)C(=C1)C(F)(F)F
InChIKey
InChIKey=UNCDWAOFYKULBF-SNVBAGLBSA-N
Formula
C18H16F3N3O2S2
Mass
427.46
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[2,3-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[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Pyrimidones Pyrimidinethiones 2,5-disubstituted thiophenes 2-Thiopyrimidines Pyridines and derivatives Vinylogous amides Oxolanes Heteroaromatic compounds Thioureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - 2,5-disubstituted thiophene - Pyridine - Pyrimidine - Oxolane - Thiophene - Heteroaromatic compound - Vinylogous amide - Thiourea - Lactam - Oxacycle - Azacycle - Dialkyl ether - Ether - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors
Not available