A1IFO
Summary
| Name: | 3-[[[4-[(3-cyclopropyl-1~{H}-pyrazol-5-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]methyl]benzamide |
| Formula: | C20 H19 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 405.476 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[[4-[(3-cyclopropyl-1~{H}-pyrazol-5-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H19N7OS/c21-18(28)13-3-1-2-11(8-13)10-22-20-23-14-6-7-29-17(14)19(25-20)24-16-9-15(26-27-16)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H2,21,28)(H3,22,23,24,25,26,27) |
| InChIKey | InChI | 1.06 | MPJHZOCLIMYPIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc(CNc2nc(Nc3[nH]nc(c3)C4CC4)c5sccc5n2)c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cccc(CNc2nc(Nc3[nH]nc(c3)C4CC4)c5sccc5n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)N)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)N)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 |
