W20
Summary
| Name: | (2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide |
| Formula: | C19 H17 F2 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 433.432 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H17F2N5O3S/c20-13-6-3-10(11-4-5-12-17(16(11)21)24-9-25-18(12)22)8-15(13)30(28,29)26-19(27)14-2-1-7-23-14/h3-6,8-9,14,23H,1-2,7H2,(H,26,27)(H2,22,24,25) |
| InChIKey | InChI | 1.06 | CWXTYUZHOSSKNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2c(F)c(ccc12)c3ccc(F)c(c3)[S](=O)(=O)NC(=O)[C@@H]4CCCN4 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2c(F)c(ccc12)c3ccc(F)c(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2ccc3c(c2F)ncnc3N)S(=O)(=O)NC(=O)[C@@H]4CCCN4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2ccc3c(c2F)ncnc3N)S(=O)(=O)NC(=O)C4CCCN4)F |
