7-(2-Methoxy-ethyl)-3-methyl-8-(4-methyl-benzylamino)-3,7-dihydro-purine-2,6-dione
Basic information
- CAS
797806-65-6- Standard SMILES
COCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
QYOKRXSYYHPBHU-UHFFFAOYSA-N- Molecular formula
- C17H21N5O3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.16443955
Names & identifiers
- Preferred name
- 7-(2-Methoxy-ethyl)-3-methyl-8-(4-methyl-benzylamino)-3,7-dihydro-purine-2,6-dione
- IUPAC
- 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Names & synonyms
797806-65-6MLS000035406BAS 00964926CHEMBL1595232DTXSID601119276HMS2278J07AKOS0051852457-(2-Methoxy-ethyl)-3-methyl-8-(4-methyl-benzylamino)-3,7-dihydro-purine-2,6-dioneSMR000009764ST50006160F0372-06797-(2-methoxyethyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
Show more names
3,7-Dihydro-7-(2-methoxyethyl)-3-methyl-8-[[(4-methylphenyl)methyl]amino]-1H-purine-2,6-dione7-(2-methoxyethyl)-3-methyl-8-{[(4-methylphenyl)methyl]amino}-1,3,7-trihydropu rine-2,6-dione7-(2-Methoxyethyl)-3-methyl-8-{[(4-methylphenyl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
797806-65-6- PubChem CID
- 652013
- DTXSID
DTXSID601119276- ChEMBL
CHEMBL1595232
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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