EBB
Summary
| Name: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one |
| Formula: | C15 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 298.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | NHFMMPLQVIZDPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3 |
| SMILES | CACTVS | 3.385 | Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3 |
