Basic information
- Standard SMILES
O=c1c2[nH]c([N+](=O)[O-])nc2n(CC2CC2)c(=O)n1CC1CC1- InChIKey
KXZCOUISCHFBJW-UHFFFAOYSA-N- Molecular formula
- C13H15N5O4
- Average molar mass
- 305.29 g/mol
Names & identifiers
- Preferred name
- 1,3-Dicyclopropylmethyl-8-nitro xanthine
- IUPAC
- 1,3-bis(cyclopropylmethyl)-8-nitro-7H-purine-2,6-dione
Names & synonyms
SCHEMBL7027210KXZCOUISCHFBJW-UHFFFAOYSA-N1,3-dicyclopropylmethyl-8-nitro xanthine1,3-Di-cyclopropylmethyl-8-nitro Xanthine
Database identifiers
- PubChem CID
- 9857658
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
Related reactions
12 records
Compound notes
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