1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-
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Basic information
- CAS
152534-50-4- Standard SMILES
O=c1c2[nH]c(C(C3CC3)C3CC3)nc2n(CC2CC2)c(=O)n1CC1CC1- InChIKey
HQDMHJBLCDOQBT-UHFFFAOYSA-N- Molecular formula
- C20H26N4O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.20557608
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-
- IUPAC
- 1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-7H-purine-2,6-dione
- English name
- 1,3-Bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)xanthine
- Molecular formula
- C20H26N4O2
- Molecular weight
- 354.45
Names & synonyms
152534-50-41H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-1,3-Bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)xanthineDTXSID40165046RefChem:239506DTXCID40875371,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-7H-purine-2,6-dioneSCHEMBL9427714L0094351,3-Bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 1,3-bis(cyclopropylmethyl)-8-(dicyclopropylmethyl)-3,9-dihydro-
Database identifiers
- CAS
152534-50-4- PubChem CID
- 3073780
- DTXSID
DTXSID40165046
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
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Compound notes
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