Compound Identification
SMILES
COC1=CC=CC=C1N1C(=S)NC(=O)C2=C1N=C(C=C2C(F)F)C1=CC=C(C)S1
InChIKey
InChIKey=TUQZXUSIZVVIJT-UHFFFAOYSA-N
Formula
C20H15F2N3O2S2
Mass
431.48
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
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes 2,5-disubstituted thiophenes 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Lactams Thioureas Azacyclic compounds Organofluorides Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Methoxyaniline - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Pyrimidinethione - Pyrimidone - 2,5-disubstituted thiophene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Benzenoid - Pyridine - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Thiourea - Lactam - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - 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