Compound Identification
SMILES
O=C(N=C1N(CC2CCCO2)C2=C(C=C1C#N)C(=O)N1C=CC=CC1=N2)C1=CC=CS1
InChIKey
InChIKey=WETJVRIYLNTTKA-UHFFFAOYSA-N
Formula
C22H17N5O3S
Mass
431.47
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
Thiophene carboxamides Pyrimidones Pyridines and derivatives Vinylogous amides Oxolanes Heteroaromatic compounds Lactams Oxacyclic compounds Nitriles Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Pyrimidone - Pyridine - Pyrimidine - Oxolane - Thiophene - Vinylogous amide - Heteroaromatic compound - Lactam - Dialkyl ether - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Cyanide - Organic oxide - 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