V0H
Summary
| Name: | 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile |
| Synonyms: | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile |
| Formula: | C19 H16 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 385.801 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | UUOYDPMSIUVIEL-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O |
| SMILES | CACTVS | 3.385 | O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1OCC#N)OCC(CN2C=Nc3ccc(cc3C2=O)Cl)O |
