Compound Identification
SMILES
CC1=NC=C(CC2=CN=C(NCCSCC3=CC=C(O3)C(C)(C)N)NC2=O)C=C1
InChIKey
InChIKey=CZTPLYMKHNEVHO-UHFFFAOYSA-N
Formula
C21H27N5O2S
Mass
413.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Aminopyrimidines and derivatives Secondary alkylarylamines Aralkylamines Methylpyridines Hydropyrimidines Furans Heteroaromatic compounds Lactams Sulfenyl compounds Dialkylthioethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Methylpyridine - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Hydropyrimidine - Pyridine - Furan - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Secondary amine - Thioether - Sulfenyl compound - Dialkylthioether - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic 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