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Basic information
- Standard SMILES
Cn1c(=N)c(C#N)c2n(c1=S)CCCCCCC2- InChIKey
DLKZAGGEQXXDCP-UHFFFAOYSA-N- Molecular formula
- C13H18N4S
- Average molar mass
- 262.38 g/mol
- Monoisotopic mass
- 262.12521776
Names & identifiers
- Preferred name
- 3-imino-2-methyl-1-thioxo-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
- IUPAC
- 3-imino-2-methyl-1-sulfanylidene-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Names & synonyms
NSC696798NSC-6967983-Imino-2-methyl-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile3-imino-2-methyl-1-thioxo-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Database identifiers
- PubChem CID
- 393871
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
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Compound notes
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