AC1L9RHK
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-|3-allyl-2-allylsulfanyl-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-pyrimidin-4-one|6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one|4(3H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-|6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-3-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidin-4(3H)-one
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.17657 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.17657 |
| Monoisotopic Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 199852-51-2 |
|---|---|
| SMILES | CCC1=C(N=C(N(C1=O)CC=C)SCC=C)CC2=CC(=CC(=C2)C)C |
| InChIKey | VMSJGPDQMQCPTI-UHFFFAOYSA-N |
Product Overview
AC1L9RHK (CAS 199852-51-2), with molecular formula C21H26N2OS and molecular weight 354.17657 g/mol. IUPAC: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one.
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