SKW
Summary
| Name: | ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
| Synonyms: | (S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)phenyl)-5-bromopicolinamide |
| Formula: | C17 H17 Br N4 O S |
| Formal charge: | 0 |
| Formula weight: | 405.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | FSIYTVBWWROBPT-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CCSC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2 |
| SMILES | CACTVS | 3.385 | C[C]1(CCSC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br |
