Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride
Basic information
- CAS
148712-01-0- Standard SMILES
Cl.Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCN2CCC(Cc3ccccc3)CC2)n(C)c1=O- InChIKey
OYIYTJAGEOXQTR-UHFFFAOYSA-N- Molecular formula
- C25H33ClN6O3
- Average molar mass
- 501 g/mol
- Monoisotopic mass
- 500.2302666
Names & identifiers
- Preferred name
- Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride
- IUPAC
- 9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione;hydrochloride
Names & synonyms
148712-01-0Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochlorideDTXSID30164083RefChem:377754DTXCID30865749-[3-(4-Benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione--hydrogen chloride (1/1)
Database identifiers
- CAS
148712-01-0- PubChem CID
- 3073445
- DTXSID
DTXSID30164083
Properties
Computed structural properties
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…