AC 3092
Basic information
- CAS
7558-14-7- Standard SMILES
Cn1c(=O)c2c(nc(Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O- InChIKey
XKKXBBFOYVNTDX-UHFFFAOYSA-N- Molecular formula
- C20H25N5O3
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.19573968
Names & identifiers
- Preferred name
- AC 3092
- IUPAC
- 8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Names & synonyms
7558-14-7AC 3092WKF3JDE59MAC-3092AC30928-BENZYL-7-(2-MORPHOLINOETHYL)THEOPHYLLINETHEOPHYLLINE, 8-BENZYL-7-(2-MORPHOLINOETHYL)-8-BENZYL-1,3-DIMETHYL-7-(2-(MORPHOLIN-4-YL)ETHYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONERefChem:1993223,7-Dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)ethyl)-8-(phenylmethyl)-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)ethyl)-8-(phenylmethyl)-8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Show more names
UNII-WKF3JDE59Morb1698790DTXSID10997018AKOS040750041T295358-benzyl-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
7558-14-7- PubChem CID
- 134646
- DTXSID
DTXSID10997018- UNII
- WKF3JDE59M
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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