SYP
Summary
| Name: | N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide |
| Formula: | C11 H19 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 269.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide |
| OpenEye OEToolkits | 1.7.0 | N-[2-[[6-(2-sulfanylethylamino)pyrimidin-4-yl]amino]ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCNc1ncnc(c1)NCCS)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)NCCNc1cc(NCCS)ncn1 |
| SMILES | CACTVS | 3.370 | CCC(=O)NCCNc1cc(NCCS)ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC(=O)NCCNc1cc(ncn1)NCCS |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(=O)NCCNc1cc(ncn1)NCCS |
| InChI | InChI | 1.03 | InChI=1S/C11H19N5OS/c1-2-11(17)14-4-3-12-9-7-10(13-5-6-18)16-8-15-9/h7-8,18H,2-6H2,1H3,(H,14,17)(H2,12,13,15,16) |
| InChIKey | InChI | 1.03 | MXLYIGOSAJROJY-UHFFFAOYSA-N |
