A1JEM
Summary
| Name: | 1-ethyl-3-[[(4~{S})-8-fluoranyl-3,4-dihydro-1~{H}-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea |
| Formula: | C14 H17 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-ethyl-3-[[(4~{S})-8-fluoranyl-3,4-dihydro-1~{H}-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17FN4O2/c1-2-16-14(20)17-6-10-7-21-8-13-18-11-5-9(15)3-4-12(11)19(10)13/h3-5,10H,2,6-8H2,1H3,(H2,16,17,20)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | FIFQDMOPOWKGIR-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)NC[C@H]1COCc2nc3cc(F)ccc3n12 |
| SMILES | CACTVS | 3.385 | CCNC(=O)NC[CH]1COCc2nc3cc(F)ccc3n12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)NC[C@H]1COCc2n1c3ccc(cc3n2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)NCC1COCc2n1c3ccc(cc3n2)F |
