AC1LDE6Q
1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|F3235-1095|1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|1,7-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|1,7-dimethyl-9-(4-phenoxyphenyl)-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[ 1,2-h]purine-2,4-dione|4-hydroxy-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16443 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.16443 |
| Monoisotopic Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 716331-84-9 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC=C(C=C4)OC5=CC=CC=C5 |
| InChIKey | DWFNZQQUTVLQOC-UHFFFAOYSA-N |
Product Overview
AC1LDE6Q (CAS 716331-84-9), with molecular formula C22H21N5O3 and molecular weight 403.16443 g/mol. IUPAC: 1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.