A1IE6
Summary
| Name: | 3-[[[4-[(3-cyclobutyl-1~{H}-pyrazol-5-yl)amino]furo[3,2-d]pyrimidin-2-yl]amino]methyl]benzamide |
| Formula: | C21 H21 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 403.437 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[[4-[(3-cyclobutyl-1~{H}-pyrazol-5-yl)amino]furo[3,2-d]pyrimidin-2-yl]amino]methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21N7O2/c22-19(29)14-6-1-3-12(9-14)11-23-21-24-15-7-8-30-18(15)20(26-21)25-17-10-16(27-28-17)13-4-2-5-13/h1,3,6-10,13H,2,4-5,11H2,(H2,22,29)(H3,23,24,25,26,27,28) |
| InChIKey | InChI | 1.06 | ZTHIMBSQDLASPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc(CNc2nc(Nc3[nH]nc(c3)C4CCC4)c5occc5n2)c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cccc(CNc2nc(Nc3[nH]nc(c3)C4CCC4)c5occc5n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)N)CNc2nc3ccoc3c(n2)Nc4cc(n[nH]4)C5CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)N)CNc2nc3ccoc3c(n2)Nc4cc(n[nH]4)C5CCC5 |
