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Basic information
- Standard SMILES
CCCn1c(=O)[nH]c2ncn(CC(=O)OCC)c2c1=O- InChIKey
PTPYVKXEURBEQE-UHFFFAOYSA-N- Molecular formula
- C12H16N4O4
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.117155
Names & identifiers
- Preferred name
- ethyl 2-(2,6-dioxo-1-propyl-2,3-dihydro-1H-purin-7(6H)-yl)acetate
- IUPAC
- ethyl 2-(2,6-dioxo-1-propyl-3H-purin-7-yl)acetate
Names & synonyms
SCHEMBL661486PTPYVKXEURBEQE-UHFFFAOYSA-Nethyl 2-(2,6-dioxo-1-propyl-2,3-dihydro-1H-purin-7(6H)-yl)acetate
Database identifiers
- PubChem CID
- 57732989
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
1 records
Compound notes
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