HWQ
Summary
| Name: | 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile |
| Formula: | C16 H22 N6 S |
| Formal charge: | 0 |
| Formula weight: | 330.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | ZZVMFUZVPCVUGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3 |
| SMILES | CACTVS | 3.385 | CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3 |
