UJL
Summary
| Name: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine |
| Synonyms: | Ulotaront SEP-363856 ; SEP-856 |
| Formula: | C9 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 183.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | ABDDQTDRAHXHOC-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@@H]1OCCc2ccsc12 |
| SMILES | CACTVS | 3.385 | CNC[CH]1OCCc2ccsc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@H]1c2c(ccs2)CCO1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC1c2c(ccs2)CCO1 |
