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Basic information
- Standard SMILES
O=c1[nH]c(=S)n(CC2CCNCC2)c2cc[nH]c12- InChIKey
CLVIPEBFJWXCOH-UHFFFAOYSA-N- Molecular formula
- C12H16N4OS
- Average molar mass
- 264.35 g/mol
Names & identifiers
- Preferred name
- 1-(Piperidin-4-ylmethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one
- IUPAC
- 1-(piperidin-4-ylmethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
Names & synonyms
SCHEMBL1536648CLVIPEBFJWXCOH-UHFFFAOYSA-N1-(Piperidin-4-ylmethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one
Database identifiers
- PubChem CID
- 11630336
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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