HWT
Summary
| Name: | 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
| Formula: | C16 H24 N6 S |
| Formal charge: | 0 |
| Formula weight: | 332.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3 |
| InChIKey | InChI | 1.03 | JNFSCEZOWFOZJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N |
| SMILES | CACTVS | 3.385 | CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N |
