ZQS
Summary
| Name: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
| Formula: | C14 H15 N5 S2 |
| Formal charge: | 0 |
| Formula weight: | 317.432 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{R},7~{a}~{R})-6-pyrimidin-2-yl-7~{a}-thiophen-2-yl-4,4~{a},5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1 |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | GFWNXZDRVLVYFN-HZMBPMFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@]2(CN(C[C@H]2CS1)c3ncccn3)c4sccc4 |
| SMILES | CACTVS | 3.385 | NC1=N[C]2(CN(C[CH]2CS1)c3ncccn3)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C23CN(CC2CSC(=N3)N)c4ncccn4 |
