AC1NZ55U
6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione|(5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(Z)-1-allyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H24N4O5S |
|---|---|
| Molecular Weight | 444.14673 g/mol |
| LogP | 2.18289 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.14673 |
| Monoisotopic Mass | 444.14673 |
| Heavy Atoms | 31 |
| Complexity | 1169.8259 |
Chemical Identifiers
| CAS Number | 858745-91-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CN=CC4=C(N(C(=S)NC4=O)CC=C)O)OC)OCO3 |
Product Overview
AC1NZ55U (CAS 858745-91-2), with molecular formula C21H24N4O5S and molecular weight 444.14673 g/mol. IUPAC: 6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.