873
Summary
| Name: | 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one |
| Formula: | C16 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 303.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(2~{R})-2-oxidanyl-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10-11,14-15,17,20-21H,3,6-9H2/t11-,14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | QGNITGLZWOVTKR-KCPJHIHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C[C@H]1NCCC[C@H]1O)CN2C=Nc3ccccc3C2=O |
| SMILES | CACTVS | 3.385 | O[CH](C[CH]1NCCC[CH]1O)CN2C=Nc3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CC(CC3C(CCCN3)O)O |
