AC1L4KPI
5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-|5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one|5-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)pyrimidin-4(1H)-one|4(1H)-Pyrimidinone,5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)|5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-((2-(((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)SULFINYL)ETHYL)AMINO) -4-1H- PYRIMIDINONE|5-[(2H-1,3-Benzodioxol-5-yl)methyl]-2-({2-[(4-methyl-1H-imidazol-5-yl)methanesulfinyl]ethyl}imino)-1,2-dihydropyrimidin-4-ol
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13144 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.13144 |
| Monoisotopic Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 85643-17-0 |
|---|---|
| SMILES | CC1=C(N=CN1)CS(=O)CCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | POKJRPCZWSGGCS-UHFFFAOYSA-N |
Product Overview
AC1L4KPI (CAS 85643-17-0), with molecular formula C19H21N5O4S and molecular weight 415.13144 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one.