5YC
Summary
| Name: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Formula: | C15 H16 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 300.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | MAVHHQOKQQPPKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC1=CC(=O)N2N=C(C)SC2=N1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCN(CC1=CC(=O)N2N=C(C)SC2=N1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3 |
