VO6
Summary
| Name: | [(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
| Formula: | C12 H15 As N6 O S2 |
| Formal charge: | 0 |
| Formula weight: | 398.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | JCYZMTMYPZHVBF-TVQRCGJNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)nc(Nc2ccc(cc2)[As@@]3SC[C@H](CO)S3)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc(nc(n2)N)N)[As@@]3SC[C@@H](S3)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SCC(S3)CO |
