A1JVJ
Summary
| Name: | 2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one |
| Formula: | C16 H15 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 329.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15N3O3S/c1-9-10(2)19(12-6-4-3-5-11(9)12)15(22)8-23-16-17-13(20)7-14(21)18-16/h3-7H,8H2,1-2H3,(H2,17,18,20,21) |
| InChIKey | InChI | 1.06 | IHUFDMRYOYZWFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(C(=O)CSC2=NC(=CC(=O)N2)O)c3ccccc3c1C |
| SMILES | CACTVS | 3.385 | Cc1n(C(=O)CSC2=NC(=CC(=O)N2)O)c3ccccc3c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n(c2c1cccc2)C(=O)CSC3=NC(=CC(=O)N3)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n(c2c1cccc2)C(=O)CSC3=NC(=CC(=O)N3)O)C |
