Compound Identification
SMILES
CN(N=O)C(=O)NCCSC1=NC=NC2=NC=NC12
InChIKey
InChIKey=SIQZZJYBVLPQAS-UHFFFAOYSA-N
Formula
C9H11N7O2S
Mass
281.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic carbonic acids and derivatives
-
Subclass
Ureas
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Level 5
Nitrosoureas
- Level 6 N-methylnitrosoureas
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Level 5
Nitrosoureas
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Subclass
Ureas
-
Class
Organic carbonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Subclass
Ureas
Intermediate Tree Nodes
Nitrosoureas
Direct Parent
N-methylnitrosoureas
Alternative Parents
Hydropyrimidines Semicarbazides Nitrosamides Imidazoles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
N-methylnitrosourea - Hydropyrimidine - 5,6-dihydropyrimidine - Imidazole - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Organic nitroso compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom).
External Descriptors
Not available