86X
Summary
| Name: | 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
| Formula: | C16 H17 Cl F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 337.776 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-chloranyl-7-fluoranyl-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17ClFN3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | AAHVYVICLLIXKC-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2N=CN(CCC[C@H]3NCCCC3=O)C(=O)c2cc1Cl |
| SMILES | CACTVS | 3.385 | Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)F)N=CN(C2=O)CCCC3C(=O)CCCN3 |
