AC1MPDWQ
1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 3-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one|3-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14093 g/mol |
| LogP | 2.91209 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.14093 |
| Monoisotopic Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1187.4675 |
Chemical Identifiers
| CAS Number | 575469-75-9 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)CC4=CC=CC=C4)O)OC |
Product Overview
AC1MPDWQ (CAS 575469-75-9), with molecular formula C22H23N3O4S and molecular weight 425.14093 g/mol. IUPAC: 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
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