Compound Identification
SMILES
CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1C1=C(C)N(C)C(=C1)C#N
InChIKey
InChIKey=QGHXITBMZOBEOS-OAHLLOKOSA-N
Formula
C17H23N5OS
Mass
345.47
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 Pyrimidinethiones
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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
Pyrimidinethiones
Alternative Parents
2-Thiopyrimidines N-methylpyrroles Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - N-methylpyrrole - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxamide group - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. 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