Basic information
- CAS
56107-50-7- Standard SMILES
Nc1nc(N)c2nc(SC34CC5CC(CC(C5)C3)C4)c(N)nc2n1- InChIKey
MOSJSCCVLGDBHI-UHFFFAOYSA-N- Molecular formula
- C16H21N7S
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.15791487
Names & identifiers
- Preferred name
- 6-(1-Adamantylsulfanyl)pteridine-2,4,7-triamine
- IUPAC
- 6-(1-adamantylsulfanyl)pteridine-2,4,7-triamine
Names & synonyms
56107-50-76-(1-adamantylsulfanyl)pteridine-2,4,7-triamineNSC280439DTXSID40314052NSC-2804396-[(Adamantan-1-yl)sulfanyl]pteridine-2,4,7-triamine
Database identifiers
- CAS
56107-50-7- PubChem CID
- 322503
- DTXSID
DTXSID40314052
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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