Basic information
- Standard SMILES
C=CCn1c(N2CC(C)NC(C)C2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
JOFHMFXKCVWIDX-UHFFFAOYSA-N- Molecular formula
- C16H24N6O2
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 7-Allyl-8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione
- IUPAC
- 8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Names & synonyms
SCHEMBL5718896JOFHMFXKCVWIDX-UHFFFAOYSA-N7-Allyl-8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione
Database identifiers
- PubChem CID
- 22029907
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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