AC1NE2O4
3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 3-(2-fluorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C29H26FN5O3 |
|---|---|
| Molecular Weight | 511.20197 g/mol |
| LogP | 4.6642 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.20197 |
| Monoisotopic Mass | 511.20197 |
| Heavy Atoms | 38 |
| Complexity | 1756.1129 |
Chemical Identifiers
| CAS Number | 862186-64-9 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)C5=CC=C(C=C5)OC6=CC=CC=C6 |
Product Overview
AC1NE2O4 (CAS 862186-64-9), with molecular formula C29H26FN5O3 and molecular weight 511.20197 g/mol. IUPAC: 3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
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