8G7
Summary
| Name: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
| Formula: | C19 H24 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 328.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{S})-2-(2-hydroxyethyl)-2,6-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/C19H24N2O3/c1-12(2)10-13-11-19(3,7-9-22)24-16-14-6-5-8-20-17(14)21(4)18(23)15(13)16/h5-6,8,10,13,22H,7,9,11H2,1-4H3/t13-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | VYFXCJIONADTCE-YJYMSZOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C2=C(O[C@@](C)(CCO)C[C@H]2C=C(C)C)c3cccnc13 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3cccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CC1CC(OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C |
