Basic information
- CAS
176515-30-3- Standard SMILES
Clc1nc(C=Cc2ccccc2)c2ncn(Cc3ccccc3)c2n1- InChIKey
SPGMYMVJTAHJGP-UHFFFAOYSA-N- Molecular formula
- C20H15ClN4
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0985242
Names & identifiers
- Preferred name
- Agn-PC-0jrktw
- IUPAC
- 9-benzyl-2-chloro-6-(2-phenylethenyl)purine
Names & synonyms
AGN-PC-0JRKTW9-benzyl-2-chloro-6-[(1E)-2-phenylethenyl]-9H-purineDTXSID303328219-Benzyl-2-chloro-6-(2-phenylethen-1-yl)-9H-purine
Database identifiers
- CAS
176515-30-3- PubChem CID
- 467623
- DTXSID
DTXSID30332821
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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