VB9
Summary
| Name: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Formula: | C10 H13 N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 255.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1~{H}-thieno[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)CCN1C(=O)c2sccc2NC1=S |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15) |
| InChIKey | InChI | 1.06 | PIFSYBNBNGDCBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCN1C(=S)Nc2ccsc2C1=O |
| SMILES | CACTVS | 3.385 | CN(C)CCN1C(=S)Nc2ccsc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCN1C(=O)c2c(ccs2)NC1=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCN1C(=O)c2c(ccs2)NC1=S |
