1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
Basic information
- CAS
29064-04-8- Standard SMILES
Cn1c(=O)[nH]c2c(nc(-c3ccccc3)n2C)c1=O- InChIKey
XUNASRGTNSBXCW-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.09602564
Names & identifiers
- Preferred name
- 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
- IUPAC
- 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione
Names & synonyms
STK1693781,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione1,9-dimethyl-8-phenyl-3H-purine-2,6-dione29064-04-8NSC282735TimTec1_007767Oprea1_485370Oprea1_850972DTXSID80314410HMS1556B01HTS12836AKOS000714988
Show more names
NSC-282735IDI1_033421EU-0038126SR-01000432333SR-01000432333-1
Database identifiers
- CAS
29064-04-8- PubChem CID
- 323341
- DTXSID
DTXSID80314410
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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