Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(CCN3CCCC3)S(=O)(=O)c3cccc(CC(=O)O)c3)c2n1- InChIKey
YZHYCRMFZHMJDM-UHFFFAOYSA-N- Molecular formula
- C27H39N7O6S
- Average molar mass
- 589.7 g/mol
Names & identifiers
- Preferred name
- (3-{[[4-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl](2-pyrrolidin-1-ylethyl)amino]sulfonyl}phenyl)acetic acid
- IUPAC
- 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-pyrrolidin-1-ylethyl)sulfamoyl]phenyl]acetic acid
Names & synonyms
SCHEMBL2386790YZHYCRMFZHMJDM-UHFFFAOYSA-N(3-{[[4-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl](2-pyrrolidin-1-ylethyl)amino]sulfonyl}phenyl)acetic acid
Database identifiers
- PubChem CID
- 11635667
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 960
Related reactions
2 records
Compound notes
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