6KV
Summary
| Name: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile |
| Formula: | C17 H24 N6 S |
| Formal charge: | 0 |
| Formula weight: | 344.478 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(methyl{2-[methyl(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propanenitrile |
| OpenEye OEToolkits | 1.7.6 | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCCN(c2nc(nc1c2scc1)N(C3CCN(C)CC3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H24N6S/c1-21-10-5-13(6-11-21)23(3)17-19-14-7-12-24-15(14)16(20-17)22(2)9-4-8-18/h7,12-13H,4-6,9-11H2,1-3H3 |
| InChIKey | InChI | 1.03 | JVWILFYYJUGFPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
