Imidazo[4,5-e][1,4]diazepine-5,8-dione, 3,4,6,7-tetrahydro-4-methyl-3-pentofuranosyl-
Basic information
- Standard SMILES
CN1C(=O)CNC(=O)c2ncn(C3OC(CO)C(O)C3O)c21- InChIKey
SOPUDFSDBQAAQP-UHFFFAOYSA-N- Molecular formula
- C12H16N4O6
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.10698424
Names & identifiers
- Preferred name
- Imidazo[4,5-e][1,4]diazepine-5,8-dione, 3,4,6,7-tetrahydro-4-methyl-3-pentofuranosyl-
- IUPAC
- 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
Names & synonyms
NSC635165NSC-635165Imidazo[4,5-e][1,4]diazepine-5,8-dione, 3,4,6,7-tetrahydro-4-methyl-3-pentofuranosyl-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-methyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
Database identifiers
- PubChem CID
- 366544
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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