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Basic information
- Standard SMILES
N#CC1=C(N)N(c2ccccc2)C(=S)N2CCCCCCCC12- InChIKey
ZLYSIPJQHKXLDE-UHFFFAOYSA-N- Molecular formula
- C18H22N4S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.15651789
Names & identifiers
- Preferred name
- 3-Amino-2-phenyl-1-thioxo-1,2,4a,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile
- IUPAC
- 3-amino-2-phenyl-1-sulfanylidene-4a,5,6,7,8,9,10,11-octahydropyrimido[1,6-a]azonine-4-carbonitrile
Names & synonyms
NSC696801NSC-6968013-Amino-2-phenyl-1-thioxo-1,2,4a,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile3-amino-2-phenyl-1-thioxo-4a,5,6,7,8,9,10,11-octahydropyrimido[1,6-a]azonine-4-carbonitrile
Database identifiers
- PubChem CID
- 393874
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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