A1E59
Summary
| Name: | spiro[3.3]heptan-2-ylmethyl ~{N}-[[3-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinazolin-7-yl]methyl]carbamate |
| Formula: | C23 H24 Cl F N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 490.912 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | spiro[3.3]heptan-2-ylmethyl ~{N}-[[3-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinazolin-7-yl]methyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H24ClFN4O5/c24-18-14(9-26-22(33)34-10-12-7-23(8-12)4-1-5-23)15(25)6-13-19(18)27-11-29(21(13)32)16-2-3-17(30)28-20(16)31/h6,11-12,16H,1-5,7-10H2,(H,26,33)(H,28,30,31)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | BALILEYXPAKABK-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2C(=O)N(C=Nc2c(Cl)c1CNC(=O)OC[CH]3C[C]4(C[CH2]C4)C3)[C@@H]5CCC(=O)NC5=O |
| SMILES | CACTVS | 3.385 | Fc1cc2C(=O)N(C=Nc2c(Cl)c1CNC(=O)OC[CH]3C[C]4(C[CH2]C4)C3)[CH]5CCC(=O)NC5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(c1F)CNC(=O)OCC3CC4(C3)CCC4)Cl)N=CN(C2=O)[C@@H]5CCC(=O)NC5=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(c1F)CNC(=O)OCC3CC4(C3)CCC4)Cl)N=CN(C2=O)C5CCC(=O)NC5=O |
