2-Methyl-3-oxo-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile
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Basic information
- Standard SMILES
Cn1c(=O)c(C#N)c2n(c1=S)CCCCCCC2- InChIKey
YQGDQAQRJMCOCT-UHFFFAOYSA-N- Molecular formula
- C13H17N3OS
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.10923335
Names & identifiers
- Preferred name
- 2-Methyl-3-oxo-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile
- IUPAC
- 2-methyl-3-oxo-1-sulfanylidene-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Names & synonyms
NSC696802NSC-6968022-Methyl-3-oxo-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile2-methyl-3-oxo-1-thioxo-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Database identifiers
- PubChem CID
- 393875
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
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Compound notes
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