ZYR
Summary
| Name: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE |
| Formula: | C10 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 206.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.6.1 | 5,6,7,8-tetrahydro-3H-[1]benzothiolo[3,2-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c3c(sc2N=CN1)CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C1NC=Nc2sc3CCCCc3c12 |
| SMILES | CACTVS | 3.352 | O=C1NC=Nc2sc3CCCCc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1CCc2c(c3c(s2)N=CNC3=O)C1 |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1CCc2c(c3c(s2)N=CNC3=O)C1 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | NMMOEJUJKIXUQZ-UHFFFAOYSA-N |
