Compound Identification
SMILES
CN1C(=S)N(CC2=CC=CC=C2)C2=NC(C)=C(C=C2C1=O)C(=O)N1CCCC1
InChIKey
InChIKey=AQPOACVLYRWBOW-UHFFFAOYSA-N
Formula
C21H22N4O2S
Mass
394.49
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
Pyridinecarboxylic acids and derivatives N-acylpyrrolidines Pyrimidones Pyrimidinethiones Methylpyridines Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid or derivatives - N-acylpyrrolidine - Methylpyridine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - 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