AC1NSQHB
6-hydroxy-5-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: CBMicro_029944|BIM-0029998.P001|SR-01000200487-1|(5Z)-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(E)-1-allyl-5-((((5-hydroxy-1,3,3-trimethylcyclohexyl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|1-allyl-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione|(5E)-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(5E)-5-[[(5-hydroxy-1,3,3-trimethylcyclohexyl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione|(5Z)-5-[[(5-hydroxy-1,3,3-trimethylcyclohexyl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione|5-[[(5-hydroxy-1,3,3-trimethylcyclohexyl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H27N3O3S |
|---|---|
| Molecular Weight | 365.1773 g/mol |
| LogP | 2.79369 |
| Topological Polar Surface Area | 90.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1773 |
| Monoisotopic Mass | 365.1773 |
| Heavy Atoms | 25 |
| Complexity | 793.7365 |
Chemical Identifiers
| CAS Number | 333352-97-9 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=CC2=C(N(C(=S)NC2=O)CC=C)O)O)C |
Product Overview
AC1NSQHB (CAS 333352-97-9), with molecular formula C18H27N3O3S and molecular weight 365.1773 g/mol. IUPAC: 6-hydroxy-5-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.