Basic information
- CAS
77900-98-2- Standard SMILES
Nc1nc(N)c2nc(Sc3cccc4ccccc34)cnc2n1- InChIKey
XEQPDASMRAAIFW-UHFFFAOYSA-N- Molecular formula
- C16H12N6S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.08441558
Names & identifiers
- Preferred name
- 6-Naphthalen-1-ylsulfanylpteridine-2,4-diamine
- IUPAC
- 6-naphthalen-1-ylsulfanylpteridine-2,4-diamine
Names & synonyms
77900-98-26-naphthalen-1-ylsulfanylpteridine-2,4-diamineNSC289525CHEMBL268388DTXSID20314878NSC-2895256-[(Naphthalen-1-yl)sulfanyl]pteridine-2,4-diamine
Database identifiers
- CAS
77900-98-2- PubChem CID
- 324360
- DTXSID
DTXSID20314878- ChEMBL
CHEMBL268388
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…