YF3
Summary
| Name: | 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL |
| Formula: | C9 H16 N4 S |
| Formal charge: | 0 |
| Formula weight: | 212.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol |
| OpenEye OEToolkits | 1.5.0 | 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]propane-1-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(N)c(cnc1C)CNC(C)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CS)NCc1cnc(C)nc1N |
| SMILES | CACTVS | 3.341 | C[CH](CS)NCc1cnc(C)nc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ncc(c(n1)N)CNC(C)CS |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ncc(c(n1)N)CNC(C)CS |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4S/c1-6(5-14)11-3-8-4-12-7(2)13-9(8)10/h4,6,11,14H,3,5H2,1-2H3,(H2,10,12,13) |
| InChIKey | InChI | 1.03 | BGGAKPFEDJLRDQ-UHFFFAOYSA-N |
