7NC
Summary
| Name: | 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one |
| Formula: | C17 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 310.37 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21) |
| InChIKey | InChI | 1.03 | KKPLVAUVHOSUPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3 |
