7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexylamino)carbonyl)-1,3-dimethyl-2,6-dioxo-
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Basic information
- CAS
169563-65-9- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)n(C)c1=O- InChIKey
GZSRRQJXSSXUSI-UHFFFAOYSA-N- Molecular formula
- C22H32N6O4
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.24850352
Names & identifiers
- Preferred name
- 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexylamino)carbonyl)-1,3-dimethyl-2,6-dioxo-
- IUPAC
- N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
- English name
- 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexyla mino)carbonyl)-1,3-dimethyl-2,6-dioxo-
- Molecular formula
- C22H32N6O4
- Molecular weight
- 444.53
Names & synonyms
169563-65-97H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexylamino)carbonyl)-1,3-dimethyl-2,6-dioxo-DTXSID50168725RefChem:311438DTXCID1091216N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamideSCHEMBL153965417H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexyla mino)carbonyl)-1,3-dimethyl-2N-Cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide7H-Purine-7-acetamide, N-cyclohexyl-N-[(cyclohexylamino)carbonyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-cyclohexyl-N-((cyclohexyla mino)carbonyl)-1,3-dimethyl-2,6-dioxo-
Database identifiers
- CAS
169563-65-9- PubChem CID
- 3074979
- DTXSID
DTXSID50168725- Nikkaji
- J691.151J
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.4 · 12.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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