WNL
Summary
| Name: | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Formula: | C14 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 276.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-1~{H}-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1NC(c2cccc(OC)c2)=C(CC)C(=O)N1C |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O2S/c1-4-11-12(15-14(19)16(2)13(11)17)9-6-5-7-10(8-9)18-3/h5-8H,4H2,1-3H3,(H,15,19) |
| InChIKey | InChI | 1.06 | FCPKQULJMYPFNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(NC(=S)N(C)C1=O)c2cccc(OC)c2 |
| SMILES | CACTVS | 3.385 | CCC1=C(NC(=S)N(C)C1=O)c2cccc(OC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1=C(NC(=S)N(C1=O)C)c2cccc(c2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1=C(NC(=S)N(C1=O)C)c2cccc(c2)OC |
