Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
Basic information
- CAS
165898-60-2- Standard SMILES
Cn1c(=O)c2c(nc3n(CCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O- InChIKey
OSPSDMZDIBJPHJ-UHFFFAOYSA-N- Molecular formula
- C30H33N7O3
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.26448794
Names & identifiers
- Preferred name
- Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
- IUPAC
- 9-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione
Names & synonyms
165898-60-2Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-DTXSID50168048RefChem:377750DTXCID10905399-{3-[4-(Diphenylmethyl)piperazin-1-yl]propyl}-1,3-dimethylpyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
Database identifiers
- CAS
165898-60-2- PubChem CID
- 3074873
- DTXSID
DTXSID50168048- Nikkaji
- J673.483I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 952
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…