Compound Identification
SMILES
Cl.Cl.Cl.CN(C)CC1=CC=C(CSCCNC2=NC=C(CC3=CN=C(C)C=C3)C(=O)N2)O1
InChIKey
InChIKey=YMVSCUJJVSENIP-UHFFFAOYSA-N
Formula
C21H30Cl3N5O2S
Mass
522.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 Aralkylamines Secondary alkylarylamines Methylpyridines Hydropyrimidines Furans Heteroaromatic compounds Trialkylamines Lactams Oxacyclic compounds Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Methylpyridine - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Hydropyrimidine - Pyridine - Furan - Heteroaromatic compound - Lactam - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Thioether - Dialkylthioether - Sulfenyl compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - 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