| PDB CCD ID: | NAT |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H16 N2 O3 S |
| InChI: | InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1 |
| InChIKey: | LOBCDGHHHHGHFA-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCOC(=O)C1=C(C)NC(=S)N[CH]1c2cccc(O)c2 | | OpenEye OEToolkits 1.5.0 | CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C | | OpenEye OEToolkits 1.5.0 | CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C | | CACTVS 3.341 | CCOC(=O)C1=C(C)NC(=S)N[C@H]1c2cccc(O)c2 | | ACDLabs 10.04 | S=C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC |
|
| Name: | ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE;
MONASTROL |
| ChEMBL: | CHEMBL254432 |
| DrugBank: | DB04331 |
| ZINC: | ZINC000004425506 |
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