39I
Summary
| Name: | ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine |
| Formula: | C19 H18 N6 S |
| Formal charge: | 0 |
| Formula weight: | 362.451 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25) |
| InChIKey | InChI | 1.03 | TVUWQDLBEOZVOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC1c2cc([nH]n2)Nc3nc(NCc4ccccc4)nc5ccsc35 |
| SMILES | CACTVS | 3.385 | C1CC1c2cc([nH]n2)Nc3nc(NCc4ccccc4)nc5ccsc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 |
