9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
24933-13-9- Standard SMILES
C=CCn1cnc2cnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc21.Cl.Cl- InChIKey
AWNKVTNITVGVQP-UHFFFAOYSA-N- Molecular formula
- C25H28Cl2N6
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 482.1752503
Names & identifiers
- Preferred name
- 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 2-(4-benzhydrylpiperazin-1-yl)-9-prop-2-enylpurine;dihydrochloride
Names & synonyms
24933-13-99H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride(Benzhydryl-4 piperazinyl-1)-2 allyl-9 purine dichlorhydrate [French]DTXSID701796519-Allyl-2-(4-diphenylmethyl-1-piperazinyl)-9H-purine dihydrochloride(Benzhydryl-4 piperazinyl-1)-2 allyl-9 purine dichlorhydrateRefChem:313603DTXCID301021422-[4-(Diphenylmethyl)piperazin-1-yl]-9-(prop-2-en-1-yl)-9H-purine--hydrogen chloride (1/2)
Database identifiers
- CAS
24933-13-9- PubChem CID
- 212801
- DTXSID
DTXSID70179651
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 546
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Compound notes
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