EUL
Summary
| Name: | 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide |
| Formula: | C17 H14 Br N3 O S |
| Formal charge: | 0 |
| Formula weight: | 388.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22) |
| InChIKey | InChI | 1.03 | KFSLRFWIPVMBNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23 |
| SMILES | CACTVS | 3.385 | Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br |
