A1IE7
Summary
| Name: | ~{N}4-(3-cyclobutyl-1~{H}-pyrazol-5-yl)-~{N}2-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine |
| Formula: | C19 H19 N7 S |
| Formal charge: | 0 |
| Formula weight: | 377.466 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(3-cyclobutyl-1~{H}-pyrazol-5-yl)-~{N}2-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19N7S/c1-4-13(5-1)15-9-16(26-25-15)23-18-17-14(6-8-27-17)22-19(24-18)21-11-12-3-2-7-20-10-12/h2-3,6-10,13H,1,4-5,11H2,(H3,21,22,23,24,25,26) |
| InChIKey | InChI | 1.06 | WBPNOHORXMSKMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC(C1)c2cc([nH]n2)Nc3nc(NCc4cccnc4)nc5ccsc35 |
| SMILES | CACTVS | 3.385 | C1CC(C1)c2cc([nH]n2)Nc3nc(NCc4cccnc4)nc5ccsc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CCC5 |
