W1Q
Summary
| Name: | (2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide |
| Formula: | C19 H18 F N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 415.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18FN5O3S/c20-14-8-12(9-16-17(14)18(21)24-10-23-16)11-3-1-4-13(7-11)29(27,28)25-19(26)15-5-2-6-22-15/h1,3-4,7-10,15,22H,2,5-6H2,(H,25,26)(H2,21,23,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | MYPYMHPGCIZXEW-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2cc(cc(F)c12)c3cccc(c3)[S](=O)(=O)NC(=O)[C@@H]4CCCN4 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2cc(cc(F)c12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)[C@@H]2CCCN2)c3cc4c(c(c3)F)c(ncn4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)C2CCCN2)c3cc4c(c(c3)F)c(ncn4)N |
