H49
Summary
| Name: | (S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide |
| Formula: | C17 H22 N4 S |
| Formal charge: | 0 |
| Formula weight: | 314.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[3-[[[(2S)-pyrrolidin-2-yl]methylamino]methyl]phenyl]thiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N4S/c18-17(16-7-3-9-22-16)21-14-5-1-4-13(10-14)11-19-12-15-6-2-8-20-15/h1,3-5,7,9-10,15,19-20H,2,6,8,11-12H2,(H2,18,21)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | MRTCFHYZEYSLIF-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N=C(Nc1cccc(CNC[C@@H]2CCCN2)c1)c3sccc3 |
| SMILES | CACTVS | 3.385 | N=C(Nc1cccc(CNC[CH]2CCCN2)c1)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)CNCC3CCCN3 |
