B6V
Summary
| Name: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
| Formula: | C21 H27 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 369.457 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O3/c1-6-24-19-16(8-7-14(4)23-19)18-17(20(24)25)15(11-13(2)3)12-21(5,27-18)9-10-22-26/h7-8,10-11,15,26H,6,9,12H2,1-5H3/b22-10+/t15-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | OCPIZESELFHXDL-YGWMKSHTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C2=C(O[C@@](C)(C\C=N\O)C[C@H]2C=C(C)C)c3ccc(C)nc13 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)C2=C(O[C](C)(CC=NO)C[CH]2C=C(C)C)c3ccc(C)nc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)C/C=N/O)C=C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(ccc(n2)C)C3=C(C1=O)C(CC(O3)(C)CC=NO)C=C(C)C |
