U2C
Summary
| Name: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
| Formula: | C17 H17 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 360.795 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | KUFSBQCOICNILM-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1c2cc(ccc2nc(n1)NCc3ccco3)Cl)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1c2cc(ccc2nc(n1)NCc3ccco3)Cl)C(=O)NO |
