TUE
Summary
| Name: | 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine |
| Formula: | C17 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 292.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10H,1,8,11H2,(H2,18,21) |
| InChIKey | InChI | 1.03 | JWSPKIZRSASLMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N |
