1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(2-furanylcarbonyl)-1-piperazinyl)-2-hydroxypropyl)-
Basic information
- CAS
86071-03-6- Standard SMILES
Cn1c(=O)c2c(ncn2CC(O)CN2CCN(C(=O)c3ccco3)CC2)n(C)c1=O- InChIKey
RZWAFHYWZSGUHR-UHFFFAOYSA-N- Molecular formula
- C19H24N6O5
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.18081789
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(2-furanylcarbonyl)-1-piperazinyl)-2-hydroxypropyl)-
- IUPAC
- 7-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
Sgd 123771H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(2-furanylcarbonyl)-1-piperazinyl)-2-hydroxypropyl)-86071-03-6RefChem:239553SCHEMBL683586DTXSID6010066037-{3-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
86071-03-6- PubChem CID
- 3070239
- DTXSID
DTXSID601006603- Nikkaji
- J23.297A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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