AC1NJGEH
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione|F1614-0306|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione|7-(3-benzoxazol-2-ylthiopropyl)-8-[4-(4-methoxyphenyl)piperazinyl]-3-methyl-1, 3,7-trihydropurine-2,6-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C27H29N7O4S |
|---|---|
| Molecular Weight | 547.2002 g/mol |
| LogP | 3.0821 |
| Topological Polar Surface Area | 114.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2002 |
| Monoisotopic Mass | 547.2002 |
| Heavy Atoms | 39 |
| Complexity | 1696.5308 |
Chemical Identifiers
| CAS Number | 714932-75-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCSC5=NC6=CC=CC=C6O5 |
Product Overview
AC1NJGEH (CAS 714932-75-9), with molecular formula C27H29N7O4S and molecular weight 547.2002 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.