![N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide](/api/spectrum/4Mh8Sz1qYGv/structure.png?h=300&w=458 "N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide")
| SpectraBase Compound ID | IDJ1hZ1Ff50 |
|---|---|
| InChI | InChI=1S/C20H28N4O3S/c1-13(24(12-26)11-15-10-22-14(2)23-19(15)21)18(5-6-25)28-17-7-16(27)8-20(3,4)9-17/h7,10,12,25H,5-6,8-9,11H2,1-4H3,(H2,21,22,23) |
| InChIKey | JWOJDQSQOYKPGM-UHFFFAOYSA-N |
| Mol Weight | 404.53 g/mol |
| Molecular Formula | C20H28N4O3S |
| Exact Mass | 404.188212 g/mol |
Ultraviolet-Visible (UV-Vis) Spectrum
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| SpectraBase Spectrum ID | 4Mh8Sz1qYGv |
|---|---|
| Name | N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide |
| Conditions | Neutral |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N4O3S |
| InChI | InChI=1S/C20H28N4O3S/c1-13(24(12-26)11-15-10-22-14(2)23-19(15)21)18(5-6-25)28-17-7-16(27)8-20(3,4)9-17/h7,10,12,25H,5-6,8-9,11H2,1-4H3,(H2,21,22,23) |
| InChIKey | JWOJDQSQOYKPGM-UHFFFAOYSA-N |
| Sadtler IR Number | 31390 |
| Sadtler UV Number | 14703N |
| Solvent | Methanol |