1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-
Basic information
- CAS
152534-48-0- Standard SMILES
O=c1c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CC2CC2)c(=O)n1CC1CC1- InChIKey
LJACMDNJYOLHRX-UHFFFAOYSA-N- Molecular formula
- C22H28N4O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.22122615
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-
- IUPAC
- 1,3-bis(cyclopropylmethyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Names & synonyms
152534-48-01H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-RefChem:10582511,3-Bis(cyclopropylmethyl)-8-(3-noradamantyl)xanthineSCHEMBL9427364DTXSID50934528L0094331,3-Bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
152534-48-0- PubChem CID
- 3073779
- DTXSID
DTXSID50934528
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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