Compound Identification
SMILES
NN1C(C2=C(NC1=S)SC1=C2CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=ZLCMFDBBUZTCBS-UHFFFAOYSA-N
Formula
C16H17N3S2
Mass
315.45
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 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 Benzene and substituted derivatives Thiosemicarbazides Thiophenes Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiosemicarbazide - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic 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