9I2
Summary
| Name: | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol |
| Formula: | C19 H21 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 356.394 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | LICCUQPKNWSBNT-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)c(F)cc1c2cc(N[C@@H](C)CO)c3nc(N)ncc3c2 |
| SMILES | CACTVS | 3.385 | CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(N)ncc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(c(cc1c2cc3cnc(nc3c(c2)NC(C)CO)N)F)O |
