6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(propan-2-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Basic information
- CAS
371952-47-5- Standard SMILES
CC(C)=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C- InChIKey
MOXZNPVEMYHKJA-UHFFFAOYSA-N- Molecular formula
- C19H24N6O4
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.18590327
Names & identifiers
- Preferred name
- 6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(propan-2-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
- IUPAC
- 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione
- English name
- 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione
- Molecular formula
- C19H24N6O4
- Molecular weight
- 400.43
Names & synonyms
7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(2-(propan-2-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dioneSTK644207AKOS005575618AKOS0244226686-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(propan-2-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one7-[2-HYDROXY-3-(2-METHYLPHENOXY)PROPYL]-3-METHYL-8-[2-(1-METHYLETHYLIDENE)HYDRAZINO]-3,7-DIHYDRO-1H-PURINE-2,6-DIONE7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(1-methylethylidene)hydrazinyl]-
Database identifiers
- CAS
371952-47-5- PubChem CID
- 3833486
- EC Number
- 168-599-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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