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Basic information
- Standard SMILES
CN1C(=S)N2CCCCCCCC2C(C#N)=C1N- InChIKey
GFGIGTNKLQTWEH-UHFFFAOYSA-N- Molecular formula
- C13H20N4S
- Average molar mass
- 264.39 g/mol
- Monoisotopic mass
- 264.14086783
Names & identifiers
- Preferred name
- 3-Amino-2-methyl-1-thioxo-1,2,4a,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile
- IUPAC
- 3-amino-2-methyl-1-sulfanylidene-4a,5,6,7,8,9,10,11-octahydropyrimido[1,6-a]azonine-4-carbonitrile
Names & synonyms
NSC696800NSC-6968003-Amino-2-methyl-1-thioxo-1,2,4a,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile3-amino-2-methyl-1-thioxo-4a,5,6,7,8,9,10,11-octahydropyrimido[1,6-a]azonine-4-carbonitrile
Database identifiers
- PubChem CID
- 393873
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
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Compound notes
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