Compound Identification
SMILES
ClC1=CC=CC(=C1)C1=CC=C(O1)C=C1C(=N)N2N=C(CC(=O)N3CCOCC3)SC2=NC1=O
InChIKey
InChIKey=SCGXDCPYETYRRV-UHFFFAOYSA-N
Formula
C22H18ClN5O4S
Mass
483.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Chlorobenzenes Aryl chlorides Hydropyrimidines Imidolactams Morpholines Heteroaromatic compounds Furans Thiadiazolines Tertiary carboxylic acid amides N-acylimines Azacyclic compounds Amidines Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - 1,4,5,6-tetrahydropyrimidine - Oxazinane - Imidolactam - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Furan - Thiadiazoline - Tertiary carboxylic acid amide - Carboxamide group - N-acylimine - Amidine - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available