Basic information
- Standard SMILES
Nc1ccncc1NC(=S)NCCN1CCC(Nc2nc3cncnc3n2Cc2ccc(F)cc2)CC1- InChIKey
CYOUXKNKEWXKEG-UHFFFAOYSA-N- Molecular formula
- C25H29FN10S
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.2281403
Names & identifiers
- Preferred name
- N-(4-amino-3-pyridinyl)-N'-[2-[4-[[9-[(4-fluorophenyl)methyl]-9H-purin-8-yl]amino]-1-piperidinyl]ethyl]thiourea
- IUPAC
- 1-(4-amino-3-pyridinyl)-3-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]thiourea
Names & synonyms
SCHEMBL9564809CYOUXKNKEWXKEG-UHFFFAOYSA-NN-(4-amino-3-pyridinyl)-N'-[2-[4-[[9-[(4-fluorophenyl)methyl]-9H-purin-8-yl]amino]-1-piperidinyl]ethyl]thiourea
Database identifiers
- PubChem CID
- 19785224
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 718
Related reactions
2 records
Compound notes
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