isopropyl (6S)-4-methyl-6-phenyl-2-sulfanylidene-3,6-dihydro-1H-pyrimidine-5-carboxylate
AlkaPlorer ID: AK588371
Synonym: None
IUPAC Name: propan-2-yl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Structure
SMILES: CC1=C(C(=O)OC(C)C)C(C2=CC=CC=C2)NC(=S)N1
InChI: InChI=1S/C15H18N2O2S/c1-9(2)19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-4-6-8-11/h4-9,13H,1-3H3,(H2,16,17,20)
InChIKey: ZANYRAHCEKSIBW-UHFFFAOYSA-N
Reference
Anthelmintic Polyfunctional Nitrogen-Containing Terpenoids from Marine Sponges
PubChem CID: 2748285
COCONUT: CNP0309757.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 290.388
TPSA？: 50.36
MolLogP？: 2.431
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus flavus | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Candida albicans | Candida albicans | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Escherichia coli | Escherichia coli | MIC | 200.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Mucor | Mucor | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Rhizopus | Rhizopus | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Salmonella enterica subsp. enterica serovar Typhi | Salmonella typhi | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2009.09.018 |