8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Basic information
- CAS
879460-30-7- Standard SMILES
COc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12- InChIKey
RCJPZVKYTXAIBI-UHFFFAOYSA-N- Molecular formula
- C21H17N5O3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.13313942
Names & identifiers
- Preferred name
- 8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
- IUPAC
- 6-(2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Names & synonyms
879460-30-78-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dioneCHEMBL5771568-(2-methoxyphenyl)-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione8-(2-methoxyphenyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purin e-2,4-dioneSCHEMBL1480284RCJPZVKYTXAIBI-UHFFFAOYSA-NDTXSID601352527BDBM50299226EBC-00667SBB084672STK571569
Show more names
6-(2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dioneAKOS001371822AKOS0054966434-hydroxy-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-oneNCGC00297615-01ST51074484AB00770011-01AB01290633-01
Database identifiers
- CAS
879460-30-7- PubChem CID
- 4886490
- DTXSID
DTXSID601352527- ChEMBL
CHEMBL577156
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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