Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCN3CCN(Cc4ccc(C)cc4)CC3)c2n1- InChIKey
SQAPLMQDZVTARQ-UHFFFAOYSA-N- Molecular formula
- C24H35N7O2
- Average molar mass
- 453.6 g/mol
Names & identifiers
- Preferred name
- 2-Butoxy-7,8-dihydro-9-(3-[4-(4-methylbenzyl)piperazin-1-yl]propyl)-8-oxoadenine
- IUPAC
- 6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one
Names & synonyms
SCHEMBL2537443SQAPLMQDZVTARQ-UHFFFAOYSA-N2-butoxy-7,8-dihydro-9-(3-[4-(4-methylbenzyl)piperazin-1-yl]propyl)-8-oxoadenine
Database identifiers
- PubChem CID
- 25014764
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 608
Related reactions
2 records
Compound notes
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