HWZ
Summary
| Name: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile |
| Formula: | C19 H26 N6 |
| Formal charge: | 0 |
| Formula weight: | 338.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6/c1-23-13-9-15(10-14-23)25(3)19-21-17-8-5-4-7-16(17)18(22-19)24(2)12-6-11-20/h4-5,7-8,15H,6,9-10,12-14H2,1-3H3 |
| InChIKey | InChI | 1.03 | MSXKDQJJTLQTRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N |
