| SpectraBase Spectrum ID |
7ezzOnIZ3fY |
| Name |
6-[[4-(1-adamantyl)-1-piperazinyl]methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38N4O5 |
| InChI |
InChI=1S/C29H38N4O5/c1-2-36-27(34)25-22(30-28(35)31-26(25)21-3-4-23-24(12-21)38-17-37-23)16-32-5-7-33(8-6-32)29-13-18-9-19(14-29)11-20(10-18)15-29/h3-4,12,18-20,26H,2,5-11,13-17H2,1H3,(H2,30,31,35)/t18-,19+,20-,26?,29- |
| InChIKey |
IDFXRZSTFMUSHL-UHFFFAOYSA-N |
| Molecular Weight |
522.646 g/mol |
| SMILES |
N1C(NC(C(=C1CN1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)C(=O)OCC)c1cc2c(OCO2)cc1)=O |
| SPLASH |
splash10-0006-9510000000-ade903334d76bfa51483 |
| Synonyms |
6-[[4-(1-adamantyl)piperazino]methyl]-4-(1,3-benzodioxol-5-yl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
Ethyl 6-[[4-(1-adamantyl)piperazin-1-yl]methyl]-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Ethyl 6-[[4-(1-adamantyl)piperazin-1-yl]methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| Wiley ID |
1512495 |
![6-[[4-(1-adamantyl)-1-piperazinyl]methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester](/api/spectrum/7ezzOnIZ3fY/structure.png?h=300&w=458 "6-[[4-(1-adamantyl)-1-piperazinyl]methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester")
